data_2eq1_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 2eq1 _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 ' 485' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.939 0.4 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -142.77 107.17 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 16.5 t -58.41 111.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.34 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -127.35 -40.62 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.15 -29.25 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.45 63.83 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -133.15 178.48 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.52 124.77 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.29 -174.55 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -51.41 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.99 171.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.42 -44.06 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 t -52.27 -36.93 54.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -65.66 -40.52 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.03 -55.69 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 36.5 p -52.04 -46.28 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 60.5 m -61.1 -25.15 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -89.97 -22.39 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.27 -13.33 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.2 -62.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.66 -30.03 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -143.72 117.07 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.41 121.0 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -102.83 37.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -122.87 -46.73 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.66 -29.15 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.37 76.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -137.99 -179.4 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -151.6 121.83 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -118.26 174.1 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -113.35 -40.64 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.82 139.7 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -61.96 -35.14 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 74.0 m -58.15 -27.27 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -78.53 -43.14 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.38 -46.97 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.4 p -59.43 -40.27 86.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 89.3 m -69.63 -26.02 64.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.33 -22.38 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.5 -13.17 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 84.9 t -51.23 -62.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.67 -30.01 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -122.76 136.79 54.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.65 115.9 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -100.93 35.58 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -121.81 -43.83 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.02 -29.35 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 110.0 78.59 1.01 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -143.81 177.42 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.71 125.04 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -123.99 165.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -108.62 -36.2 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.17 129.68 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -54.52 -27.83 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -28.85 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.71 -31.41 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.37 -48.71 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 5.2 p -58.7 -50.45 73.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 3.1 m -57.09 -27.16 61.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -88.84 -22.71 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -68.08 -12.72 61.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 79.1 t -51.28 -61.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.69 -29.89 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.871 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -129.99 129.18 43.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.97 111.11 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -96.56 28.68 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -111.28 -42.75 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.73 -29.57 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.75 65.86 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -136.18 176.86 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 124.5 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.41 161.29 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -98.31 -31.21 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.99 161.6 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -84.18 -41.01 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 87.7 p -56.32 -27.38 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -77.33 -35.0 55.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.11 -54.55 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 32.5 p -52.6 -42.03 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 20.7 m -68.31 -24.98 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -84.89 -22.78 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -68.13 -12.69 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 94.1 t -51.23 -61.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.1 pt -51.74 -29.96 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.916 0.388 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -141.3 114.75 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 34.4 t -58.73 115.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -98.52 43.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -130.09 -48.23 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.92 -29.18 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.33 71.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -137.12 178.53 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.24 125.79 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.19 161.69 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -96.14 -41.67 8.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -98.09 174.74 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -91.45 -42.27 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 9.2 t -53.2 -33.51 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.06 -37.66 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.66 -56.07 9.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 3.3 p -51.92 -43.15 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 30.2 m -68.79 -25.36 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -84.35 -22.95 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -68.27 -12.5 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.31 -60.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.74 -29.88 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.9 129.42 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 17.1 t -70.45 115.0 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -96.54 33.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -122.19 -44.49 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.42 -27.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 103.7 75.2 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -141.24 174.81 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.32 125.67 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -117.91 -177.24 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -118.18 -47.6 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -90.28 150.41 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.09 -43.02 79.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 16.6 p -56.37 -39.48 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.65 -51.19 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.83 -53.01 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -50.74 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 5.1 m -58.63 -25.98 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -87.66 -22.95 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -68.29 -12.57 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.22 -61.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.66 -30.04 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.39 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 125.77 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.23 119.41 12.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -101.66 28.02 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -115.92 -46.22 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.89 -28.14 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.2 84.12 1.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -149.29 178.72 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -145.44 124.5 12.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -119.71 168.34 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -105.21 -40.95 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.12 157.71 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -70.89 -39.89 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 42.7 t -52.79 -41.9 64.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -58.83 -41.73 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.23 -33.74 54.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 37.0 m -80.84 -24.65 38.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -84.58 -24.14 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -69.42 -11.65 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.43 -58.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.67 -30.2 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -137.85 111.07 7.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.38 114.25 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -98.38 28.64 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -113.31 -43.43 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.69 -30.59 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.95 63.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -136.52 -178.48 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 118.9 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -106.2 171.0 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -108.92 -29.75 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -102.89 169.71 8.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -90.53 -36.56 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 m -64.88 -28.03 69.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.64 -38.1 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.33 -56.9 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -37.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 87.0 m -77.94 -24.0 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.5 -23.84 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -69.43 -11.72 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.41 -57.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.2 pt -52.74 -30.12 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -118.11 123.14 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.55 114.27 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.97 34.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -123.89 -37.62 2.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.15 -29.67 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 104.56 73.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -141.01 -179.78 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -152.95 120.69 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -113.46 175.63 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -112.06 -45.93 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -91.02 154.62 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -71.97 -48.01 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.6 t -52.59 -30.15 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.45 -49.04 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.62 -53.28 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -54.82 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 87.6 m -57.31 -25.22 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -86.37 -22.99 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -69.43 -11.59 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.26 -56.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -55.52 -29.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 121.64 21.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.0 t -63.44 113.39 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.47 28.05 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -113.28 -44.96 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -112.45 -30.24 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.67 74.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -144.6 169.95 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -141.18 124.82 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -121.19 155.91 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -96.07 -30.82 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.74 139.17 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -67.26 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 23.5 m -56.82 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.29 -40.96 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.55 -57.67 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 39.8 p -51.93 -49.67 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 25.7 m -62.97 -25.03 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -85.69 -22.39 27.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -69.02 -11.88 61.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.26 -58.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.62 -30.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.933 0.397 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -119.07 103.39 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 t -60.34 110.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -97.25 26.21 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -110.3 -35.66 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 11.1 p -119.63 -34.24 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.97 45.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -118.99 174.66 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -144.05 125.68 15.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.95 157.8 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -111.84 26.26 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -150.02 154.61 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.35 -53.87 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.5 t -52.47 -44.87 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -54.25 -49.29 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 19.3 tp -57.18 -54.92 41.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -56.06 17.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 62.6 m -58.18 -24.53 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -85.01 -23.34 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.88 -11.22 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.42 -55.14 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.6 pt -54.23 -30.01 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 134.84 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.93 112.11 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -101.41 39.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -128.31 -41.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -110.98 -29.0 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.09 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 175.89 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.11 125.67 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -134.61 158.91 42.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.09 -29.08 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -92.65 138.75 31.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -64.0 -42.47 97.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.0 m -60.46 -30.61 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -66.67 -43.76 83.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.83 -57.79 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 10.3 p -52.36 -42.24 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 56.3 m -73.21 -22.5 60.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.08 -23.99 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.33 -10.91 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 84.0 t -51.5 -53.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 pt -57.29 -29.31 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.995 0.426 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -114.52 127.32 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.87 119.17 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -109.3 29.28 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -117.78 -38.35 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.47 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.86 82.67 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -152.86 -179.1 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.12 125.41 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.09 170.18 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -108.29 -30.32 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.44 169.8 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -87.29 -37.62 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 -36.98 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.58 -37.48 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.1 tp -70.19 -57.93 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 82.0 p -51.8 -51.58 55.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 89.9 m -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -85.72 -24.73 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.63 -9.78 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.51 -41.87 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.0 pt -68.69 -29.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.91 0.386 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -130.88 125.48 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.72 114.08 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.12 26.16 7.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -110.17 -42.44 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.29 -29.4 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.73 81.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -150.86 179.43 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.21 124.21 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.36 169.56 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -107.66 -32.58 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -109.08 155.12 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -70.36 -40.55 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 14.5 m -53.65 -46.13 70.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -53.76 -44.31 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.3 -58.97 6.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 2.3 p -51.8 -47.42 64.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 5.9 m -66.12 -24.64 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -84.55 -23.95 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.21 -11.83 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.36 -58.81 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.5 pt -51.66 -30.12 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.931 0.396 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -147.2 119.46 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 15.5 t -52.78 124.62 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -103.32 35.44 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -127.44 -41.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.81 -28.83 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 100.3 71.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -136.59 172.87 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -134.36 123.75 24.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.79 134.31 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -78.13 -33.53 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -100.01 148.06 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -76.02 -36.75 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 m -60.65 -26.75 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.04 -35.2 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.74 -56.37 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -31.1 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 31.1 m -83.24 -25.11 31.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -84.56 -23.28 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.87 -12.11 61.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 96.9 t -51.33 -59.89 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.63 -30.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.893 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -118.51 125.76 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 6.8 t -62.81 126.97 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -111.26 27.18 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.09 -41.54 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.2 p -112.68 -34.0 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.48 74.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -144.37 -179.33 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.14 125.12 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.77 167.98 10.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -105.46 -30.96 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -113.12 158.37 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -75.36 -36.45 60.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 3.0 m -55.15 -34.27 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.03 -40.63 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.75 -57.2 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 24.3 p -56.59 -44.26 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 85.2 m -68.34 -24.42 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -85.34 -23.44 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -70.59 -10.57 59.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 98.5 t -51.49 -49.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.1 pt -62.61 -29.94 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -137.75 107.86 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.2 t -59.03 109.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -100.69 32.52 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.76 -37.11 3.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.7 -30.57 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.48 69.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -144.03 179.39 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.91 124.03 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -117.68 171.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -111.48 -30.44 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -103.33 167.23 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -86.29 -45.38 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 18.0 m -54.94 -30.77 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -69.19 -40.23 78.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.61 -55.25 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -43.04 72.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 92.9 m -69.66 -24.5 63.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -84.91 -24.96 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -71.76 -9.65 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.55 -39.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 21.8 pt -70.72 -29.81 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.865 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -119.44 135.0 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 31.1 t -86.64 109.8 19.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -93.92 41.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -127.08 -45.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.6 p -111.36 -29.82 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.06 55.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -130.25 -179.71 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -157.1 122.88 4.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -112.92 172.62 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -112.25 -30.01 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.86 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -73.27 -35.04 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.2 m -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -61.45 -45.97 92.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.08 -51.5 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -28.33 63.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 24.0 m -84.08 -24.99 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -84.0 -22.72 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.07 -12.73 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.3 -61.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.8 -29.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -135.82 124.01 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.56 108.89 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -98.88 31.66 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -118.59 -35.85 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 22.8 p -117.96 -31.19 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.67 72.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -147.7 179.73 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.09 125.02 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -117.08 172.76 7.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -28.0 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.6 170.13 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -87.51 -48.24 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.8 p -52.42 -40.53 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.7 -53.2 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.06 -56.93 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -53.24 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 72.2 m -61.02 -24.83 66.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -84.47 -23.69 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.92 -12.03 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 96.5 t -51.42 -59.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.59 -30.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -144.99 137.29 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.09 113.98 14.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -96.31 35.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -126.04 -42.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.25 -27.44 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 102.37 75.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -146.37 174.91 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.57 123.17 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.17 176.64 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.21 -45.6 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -94.77 152.81 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -71.96 -42.21 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.0 t -54.86 -29.99 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -69.57 -49.69 51.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.16 -47.89 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 40.7 p -60.25 -41.43 93.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 55.0 m -69.35 -25.63 64.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -87.02 -22.58 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.78 -12.95 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 82.7 t -51.29 -61.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.75 -29.82 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 14.4 p -114.73 167.57 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 20.0 p -174.86 135.85 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 129.53 109.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.1 t -154.66 122.11 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 9.7 m -92.99 128.0 38.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -97.49 100.87 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 34.2 p -103.49 155.36 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -105.39 65.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.91 -26.67 36.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.54 70.93 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.538 0.685 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.09 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -101.32 124.16 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -142.77 107.17 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 16.5 t -58.41 111.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.34 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -127.35 -40.62 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.15 -29.25 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.45 63.83 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -133.15 178.48 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.52 124.77 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.29 -174.55 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -51.41 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.99 171.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.42 -44.06 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 t -52.27 -36.93 54.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -65.66 -40.52 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.03 -55.69 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 36.5 p -52.04 -46.28 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 60.5 m -61.1 -25.15 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -89.97 -22.39 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.27 -13.33 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.2 -62.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.66 -30.03 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -93.68 41.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.28 127.49 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -71.31 -163.28 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -113.26 98.49 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? 55.01 72.3 1.1 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.14 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 1.9 m -61.36 120.75 11.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 99.64 -179.44 30.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.55 2.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.386 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 26.5 t -63.08 -34.07 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t 60.36 27.97 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.492 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.1 m -129.19 150.89 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 11.9 p -145.77 143.78 29.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 55.33 82.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 87.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.8 t -81.87 72.41 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -91.69 -53.91 2.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 7.5 t -58.67 129.3 41.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 136.7 95.97 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -99.2 154.87 17.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.95 71.92 0.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -17.28 37.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.238 . . . . 0.0 112.335 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.48 117.38 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -143.72 117.07 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.41 121.0 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -102.83 37.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -122.87 -46.73 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.66 -29.15 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.37 76.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -137.99 -179.4 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -151.6 121.83 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -118.26 174.1 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -113.35 -40.64 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.82 139.7 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -61.96 -35.14 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 74.0 m -58.15 -27.27 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -78.53 -43.14 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.38 -46.97 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.4 p -59.43 -40.27 86.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 89.3 m -69.63 -26.02 64.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.33 -22.38 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.5 -13.17 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 84.9 t -51.23 -62.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.67 -30.01 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -93.77 41.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -49.32 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -103.77 63.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.72 142.76 57.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -157.13 73.04 4.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.746 2.297 . . . . 0.0 112.354 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.6 t -149.64 129.6 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 163.55 177.83 36.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.08 33.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 16.8 m -64.33 102.49 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 68.9 m -90.65 166.12 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.451 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.5 t -125.28 103.38 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 29.2 m -84.51 74.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -108.67 165.69 12.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.9 t -84.34 105.7 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 12.8 m -113.66 96.99 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -144.9 -75.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.3 t -168.46 146.28 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 162.1 84.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -110.64 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -151.62 72.09 8.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.14 31.03 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -92.04 87.73 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -122.76 136.79 54.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.65 115.9 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -100.93 35.58 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -121.81 -43.83 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.02 -29.35 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 110.0 78.59 1.01 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -143.81 177.42 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.71 125.04 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -123.99 165.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -108.62 -36.2 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.17 129.68 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -54.52 -27.83 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -28.85 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.71 -31.41 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.6 tp -67.37 -48.71 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 5.2 p -58.7 -50.45 73.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 3.1 m -57.09 -27.16 61.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -88.84 -22.71 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -68.08 -12.72 61.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 79.1 t -51.28 -61.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.69 -29.89 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -93.73 41.56 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 5.8 t -89.82 139.45 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -174.4 -88.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -127.05 166.49 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.52 72.91 81.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 87.02 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 54.6 p -99.15 115.07 28.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 132.94 175.27 13.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 134.15 27.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.6 t -62.12 -176.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 22.4 p -103.69 46.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.451 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 10.4 m -96.81 125.42 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.3 m -132.89 143.71 49.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -74.59 -164.49 11.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.7 p -116.71 162.97 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 28.6 p -98.46 134.72 41.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -166.12 62.8 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.9 t -105.75 -31.52 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 153.32 171.3 20.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -104.83 111.21 23.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -168.79 69.16 0.73 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.5 36.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -104.7 104.07 13.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -129.99 129.18 43.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.97 111.11 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -96.56 28.68 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -111.28 -42.75 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.73 -29.57 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.75 65.86 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -136.18 176.86 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 124.5 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.41 161.29 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -98.31 -31.21 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.99 161.6 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -84.18 -41.01 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 87.7 p -56.32 -27.38 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -77.33 -35.0 55.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 16.3 tp -68.11 -54.55 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 32.5 p -52.6 -42.03 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 20.7 m -68.31 -24.98 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -84.89 -22.78 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -68.13 -12.69 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 94.1 t -51.23 -61.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.1 pt -51.74 -29.96 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -93.65 41.57 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.88 168.26 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -81.98 95.6 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.65 -34.02 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -133.91 68.59 75.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 118.6 5.78 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.274 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 p -87.06 172.09 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -79.49 -174.2 45.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.24 39.96 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.3 t -109.22 127.58 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.8 t 55.48 27.91 10.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.492 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 63.4 p -115.73 84.85 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 9.9 p -147.92 174.2 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -105.24 68.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.8 m -87.25 -42.06 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.1 m -106.79 131.44 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -148.64 153.05 24.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 58.6 p -123.54 117.65 25.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -104.37 92.38 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -76.81 -27.33 55.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.35 70.07 62.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.92 34.41 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.746 2.298 . . . . 0.0 112.364 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -99.16 117.51 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -141.3 114.75 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 34.4 t -58.73 115.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -98.52 43.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -130.09 -48.23 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.92 -29.18 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.33 71.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -137.12 178.53 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.24 125.79 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.19 161.69 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -96.14 -41.67 8.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -98.09 174.74 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -91.45 -42.27 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 9.2 t -53.2 -33.51 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.06 -37.66 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.66 -56.07 9.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 3.3 p -51.92 -43.15 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 30.2 m -68.79 -25.36 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -84.35 -22.95 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -68.27 -12.5 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 97.8 t -51.31 -60.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.74 -29.88 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.9 t -89.95 -33.75 16.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -93.1 85.51 1.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -89.4 108.1 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 38.2 tttm 58.85 71.79 0.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.62 40.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.91 145.02 31.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 158.33 -75.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 130.83 19.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 15.2 p -159.0 149.3 19.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.1 t 56.91 31.86 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.461 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 4.7 m -158.03 169.25 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.5 t -122.49 172.12 8.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -159.17 -167.18 19.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 34.5 p -103.39 117.45 34.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 69.8 m -89.28 54.31 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 89.24 -119.95 5.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.5 p -138.32 148.62 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -162.06 -92.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -94.75 -26.83 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -127.78 71.36 78.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.43 37.15 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.69 123.04 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.9 129.42 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 17.1 t -70.45 115.0 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -96.54 33.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -122.19 -44.49 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.42 -27.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 103.7 75.2 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -141.24 174.81 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.32 125.67 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -117.91 -177.24 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -118.18 -47.6 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -90.28 150.41 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.09 -43.02 79.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 16.6 p -56.37 -39.48 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.65 -51.19 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.83 -53.01 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -50.74 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 5.1 m -58.63 -25.98 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -87.66 -22.95 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -68.29 -12.57 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.22 -61.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.66 -30.04 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -94.96 37.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 11.5 t -89.78 152.78 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -155.32 133.68 3.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -113.46 27.73 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -139.36 71.66 38.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.71 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.3 p -69.2 125.7 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -90.81 166.02 31.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 138.04 36.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.1 t -61.34 128.12 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -56.65 159.39 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 8.6 p -116.7 -30.97 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.1 t -174.13 150.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -110.74 37.58 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 24.0 m -120.17 48.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.6 t -83.08 127.82 33.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -102.13 166.5 17.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 1.6 p -74.76 74.83 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -153.71 124.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.28 152.55 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -173.3 72.13 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -16.92 37.94 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -106.4 135.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 125.77 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.23 119.41 12.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -101.66 28.02 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -115.92 -46.22 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.89 -28.14 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.2 84.12 1.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -149.29 178.72 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -145.44 124.5 12.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -119.71 168.34 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -105.21 -40.95 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.12 157.71 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -70.89 -39.89 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 42.7 t -52.79 -41.9 64.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -58.83 -41.73 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.23 -33.74 54.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 37.0 m -80.84 -24.65 38.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -84.58 -24.14 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -69.42 -11.65 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.43 -58.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.67 -30.2 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -79.86 -34.05 39.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 75.7 p -83.25 162.71 21.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 135.07 -21.13 3.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.22 -27.91 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 22.6 mttm 56.0 73.46 0.83 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -21.69 33.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 2.1 p -89.53 122.67 32.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.39 72.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.34 26.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 29.7 t -118.49 143.45 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 38.2 m -83.52 -32.76 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.443 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 13.7 t -72.05 105.5 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 22.2 p -75.51 118.48 18.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 168.75 64.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.6 p -132.01 85.76 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 11.5 t -134.01 64.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -162.14 95.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 1.4 p -126.35 151.36 47.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -133.85 43.49 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.39 120.52 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -127.87 69.52 76.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.8 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -100.28 125.38 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -137.85 111.07 7.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.38 114.25 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -98.38 28.64 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -113.31 -43.43 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.69 -30.59 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.95 63.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -136.52 -178.48 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 118.9 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -106.2 171.0 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -108.92 -29.75 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -102.89 169.71 8.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -90.53 -36.56 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 m -64.88 -28.03 69.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.64 -38.1 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.33 -56.9 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -37.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 87.0 m -77.94 -24.0 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.5 -23.84 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -69.43 -11.72 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.41 -57.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.2 pt -52.74 -30.12 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -79.95 -31.23 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 81.3 p -86.68 127.99 34.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.72 6.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -106.46 -50.33 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -116.14 72.73 4.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.48 66.99 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 58.2 p -98.07 97.77 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 141.55 -71.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 168.82 20.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 10.3 p -106.39 -52.65 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.4 m 54.72 52.73 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.458 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.3 t -127.68 69.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 10.5 p -82.47 159.51 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -154.29 -157.84 8.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 53.3 p -124.91 135.77 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 43.0 t -152.33 129.03 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -137.07 76.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 85.2 m -66.84 140.72 57.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.109 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 85.11 123.48 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.74 119.72 24.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -126.78 71.64 74.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -24.14 30.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -98.35 86.44 3.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -118.11 123.14 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.55 114.27 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.97 34.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -123.89 -37.62 2.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.15 -29.67 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 104.56 73.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -141.01 -179.78 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -152.95 120.69 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -113.46 175.63 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -112.06 -45.93 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -91.02 154.62 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -71.97 -48.01 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.6 t -52.59 -30.15 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -66.45 -49.04 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.62 -53.28 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -54.82 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 87.6 m -57.31 -25.22 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -86.37 -22.99 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -69.43 -11.59 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 91.0 t -51.26 -56.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -55.52 -29.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -97.32 25.76 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.8 m -89.98 -43.82 10.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -88.09 115.17 4.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.12 139.01 48.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -137.39 70.56 53.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.95 35.12 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -71.2 83.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -107.94 173.31 18.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 133.81 26.54 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.0 m -152.07 158.02 42.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 74.8 m -82.35 -26.54 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.487 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 3.2 t -144.63 108.52 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 17.2 p -102.41 161.09 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -171.78 40.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 4.8 t -173.91 159.51 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.0 t -119.18 87.62 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 111.07 165.92 18.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.8 m -72.14 114.06 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -85.34 136.08 14.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.76 44.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.948 0.404 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -124.55 71.56 58.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -20.82 34.2 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.278 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -108.12 106.83 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 121.64 21.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.0 t -63.44 113.39 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.47 28.05 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -113.28 -44.96 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -112.45 -30.24 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.67 74.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -144.6 169.95 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -141.18 124.82 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -121.19 155.91 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -96.07 -30.82 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.74 139.17 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -67.26 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 23.5 m -56.82 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.29 -40.96 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.55 -57.67 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 39.8 p -51.93 -49.67 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 25.7 m -62.97 -25.03 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -85.69 -22.39 27.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -69.02 -11.88 61.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 93.9 t -51.26 -58.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.62 -30.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -93.72 41.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.64 90.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 95.91 122.95 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.16 129.52 56.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -157.97 69.73 4.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.51 53.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 56.9 m -67.46 167.99 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 165.97 177.74 38.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.03 4.61 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.3 t 54.94 38.57 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.1 t -94.74 111.02 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 114.57 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 26.8 p -56.41 169.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 98.66 119.77 4.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 91.1 p -158.81 120.44 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 41.2 p -110.39 134.27 52.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -158.22 30.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.7 t -116.06 137.57 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -95.86 -73.43 1.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 33.13 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -135.76 69.23 65.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.44 36.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.19 93.98 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -119.07 103.39 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 t -60.34 110.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -97.25 26.21 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -110.3 -35.66 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 11.1 p -119.63 -34.24 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.97 45.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -118.99 174.66 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -144.05 125.68 15.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.95 157.8 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -111.84 26.26 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -150.02 154.61 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.35 -53.87 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.5 t -52.47 -44.87 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -54.25 -49.29 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 19.3 tp -57.18 -54.92 41.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -56.06 17.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 62.6 m -58.18 -24.53 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -85.01 -23.34 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.88 -11.22 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.42 -55.14 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.6 pt -54.23 -30.01 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -82.73 -25.69 32.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 81.2 p -89.87 174.51 7.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -175.7 160.36 28.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -102.08 -58.28 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -129.86 71.28 82.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 86.08 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.9 t -158.62 134.6 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -129.61 74.19 0.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 23.2 p -123.33 -47.66 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.2 t -69.65 -54.1 15.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.498 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.5 p -98.17 164.38 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 73.2 m -84.56 -31.02 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 159.21 -61.73 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 5.2 p -92.31 161.18 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 51.7 p -122.04 -34.79 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 130.76 105.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 47.6 p -119.68 117.97 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -133.19 -129.1 2.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -95.02 -27.49 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 72.84 72.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -17.08 37.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.64 2.227 . . . . 0.0 112.385 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -102.66 50.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 134.84 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.93 112.11 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -101.41 39.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -128.31 -41.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -110.98 -29.0 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.09 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 175.89 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.11 125.67 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -134.61 158.91 42.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.09 -29.08 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -92.65 138.75 31.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -64.0 -42.47 97.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.0 m -60.46 -30.61 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -66.67 -43.76 83.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.83 -57.79 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 10.3 p -52.36 -42.24 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 56.3 m -73.21 -22.5 60.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.08 -23.99 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.33 -10.91 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 84.0 t -51.5 -53.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 pt -57.29 -29.31 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -78.95 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.7 t -51.73 -29.83 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -80.83 62.12 4.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -131.83 30.7 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -163.73 69.88 1.73 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.271 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.52 99.59 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 69.95 166.26 5.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.05 39.32 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.8 p -147.4 138.41 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.2 t -126.45 79.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.465 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 45.1 m -119.89 -44.19 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.4 t -121.45 115.52 23.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -154.03 151.34 23.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -52.09 124.2 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 53.4 p -69.16 -177.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 101.65 27.57 7.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 11.6 m -113.83 69.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -170.1 -155.66 10.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -116.15 38.59 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -141.44 68.55 26.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -19.06 36.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -95.95 75.85 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -114.52 127.32 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.87 119.17 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -109.3 29.28 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -117.78 -38.35 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.47 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.86 82.67 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -152.86 -179.1 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.12 125.41 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.09 170.18 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -108.29 -30.32 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.44 169.8 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -87.29 -37.62 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 -36.98 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.58 -37.48 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.1 tp -70.19 -57.93 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 82.0 p -51.8 -51.58 55.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 89.9 m -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -85.72 -24.73 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.63 -9.78 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 97.7 t -51.51 -41.87 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.0 pt -68.69 -29.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -80.74 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.8 t -82.04 160.87 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 99.38 -66.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.76 152.14 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm 59.56 71.77 0.87 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 106.71 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.411 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 30.3 p -105.32 138.88 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -175.48 71.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -29.99 22.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.7 m -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.4 m -107.88 -59.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 27.7 p -88.15 101.13 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.1 t -70.47 136.7 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 159.67 55.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.44 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 2.4 t -105.45 156.85 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 15.6 t -137.18 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -170.27 126.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 9.8 m -125.52 125.98 44.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -175.25 -130.88 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.413 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -111.13 63.57 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.937 0.398 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -156.83 70.89 4.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.91 34.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.08 113.68 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -130.88 125.48 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.72 114.08 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.12 26.16 7.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -110.17 -42.44 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.29 -29.4 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.73 81.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -150.86 179.43 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.21 124.21 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.36 169.56 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -107.66 -32.58 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -109.08 155.12 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -70.36 -40.55 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 14.5 m -53.65 -46.13 70.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -53.76 -44.31 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.3 -58.97 6.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 2.3 p -51.8 -47.42 64.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 5.9 m -66.12 -24.64 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -84.55 -23.95 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.21 -11.83 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 95.7 t -51.36 -58.81 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.5 pt -51.66 -30.12 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -79.42 -34.42 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 80.4 p -81.59 123.47 28.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 144.26 -21.17 2.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -106.76 -74.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -61.76 160.67 25.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 48.9 m -116.81 153.5 32.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -135.17 -174.09 13.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 1.1 m -65.66 128.36 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 15.9 m 53.36 44.59 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.493 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 10.4 p -96.75 175.61 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 40.8 p -99.01 85.07 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -99.11 95.97 1.63 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 54.5 m -68.88 -46.66 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.6 t -100.72 176.39 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -149.29 -102.35 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 15.2 t -146.25 160.44 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -171.09 -167.2 31.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -118.31 88.98 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -154.86 72.76 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.86 31.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -97.22 128.5 44.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -147.2 119.46 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 15.5 t -52.78 124.62 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -103.32 35.44 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -127.44 -41.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.81 -28.83 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 100.3 71.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -136.59 172.87 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -134.36 123.75 24.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.79 134.31 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -78.13 -33.53 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -100.01 148.06 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -76.02 -36.75 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 m -60.65 -26.75 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.04 -35.2 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.74 -56.37 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -31.1 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 31.1 m -83.24 -25.11 31.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -84.56 -23.28 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.87 -12.11 61.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 96.9 t -51.33 -59.89 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.63 -30.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -93.63 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.96 -52.91 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -61.41 -30.02 73.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.44 118.01 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 160.2 26.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.61 45.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.395 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -101.72 -30.58 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 151.43 68.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -22.43 32.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 1.4 m 59.14 35.59 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 59.5 m -69.43 -175.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.14 36.29 24.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 47.6 m -106.18 -39.5 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 80.77 178.75 52.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.8 m -122.97 132.18 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 32.5 t -87.82 135.81 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 110.75 93.88 2.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.0 m 63.24 40.33 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -96.76 67.41 0.92 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.68 152.92 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -150.17 69.38 8.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -17.75 37.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -104.58 87.29 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -118.51 125.76 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 6.8 t -62.81 126.97 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -111.26 27.18 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.09 -41.54 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.2 p -112.68 -34.0 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.48 74.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -144.37 -179.33 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.14 125.12 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.77 167.98 10.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -105.46 -30.96 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -113.12 158.37 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -75.36 -36.45 60.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 3.0 m -55.15 -34.27 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.03 -40.63 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.75 -57.2 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 24.3 p -56.59 -44.26 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 85.2 m -68.34 -24.42 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -85.34 -23.44 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -70.59 -10.57 59.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 98.5 t -51.49 -49.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.1 pt -62.61 -29.94 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -78.93 -74.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 15.2 t -52.53 -28.94 22.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -80.63 -148.71 5.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.92 125.08 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -66.82 160.64 67.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -41.74 3.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 4.2 p -172.24 113.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 60.72 -178.96 3.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 118.26 5.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.0 t -60.77 -37.46 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.5 t 62.01 34.91 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 2.5 t -120.94 109.07 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.868 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.9 p -169.96 134.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.17 1.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 13.1 t -100.96 123.06 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 9.6 t -132.51 156.02 47.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 149.87 141.04 3.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 44.1 p -86.24 73.19 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.068 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 59.43 -131.64 51.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -82.42 130.63 35.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -127.79 73.25 78.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -16.92 37.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -112.57 105.06 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -137.75 107.86 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.2 t -59.03 109.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -100.69 32.52 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.76 -37.11 3.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.7 -30.57 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.48 69.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -144.03 179.39 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.91 124.03 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -117.68 171.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -111.48 -30.44 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -103.33 167.23 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -86.29 -45.38 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 18.0 m -54.94 -30.77 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -69.19 -40.23 78.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.61 -55.25 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -43.04 72.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 92.9 m -69.66 -24.5 63.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -84.91 -24.96 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -71.76 -9.65 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 84.8 t -51.55 -39.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 21.8 pt -70.72 -29.81 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -81.23 -25.31 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 58.5 p -76.51 141.5 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 155.71 66.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -110.67 120.09 41.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -108.48 160.67 26.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 117.16 4.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.2 t -111.27 88.0 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -133.64 175.71 20.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 159.97 51.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 75.1 p -100.59 128.11 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 169.45 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.486 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.4 m -84.96 163.78 18.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.2 m -71.79 147.52 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -81.71 -83.67 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 58.6 m -118.54 116.24 26.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.838 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 28.8 t -103.0 -46.85 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 129.56 174.22 13.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 15.0 t -112.35 166.1 11.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -164.47 35.24 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.78 150.73 45.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -103.29 159.27 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.06 35.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -107.7 92.98 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -119.44 135.0 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 31.1 t -86.64 109.8 19.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -93.92 41.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -127.08 -45.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.6 p -111.36 -29.82 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.06 55.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -130.25 -179.71 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -157.1 122.88 4.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -112.92 172.62 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -112.25 -30.01 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.86 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -73.27 -35.04 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.2 m -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -61.45 -45.97 92.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.4 tp -59.08 -51.5 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -28.33 63.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 24.0 m -84.08 -24.99 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -84.0 -22.72 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.07 -12.73 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.3 -61.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.8 -29.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -93.78 41.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 6.0 t -89.68 -31.44 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -107.63 123.71 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -151.75 134.51 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -159.81 70.51 3.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.3 46.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.636 2.224 . . . . 0.0 112.389 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 72.8 m -87.9 155.92 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -73.23 -71.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.71 3.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.2 t 56.52 45.02 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 20.1 m -126.03 76.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.491 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 3.3 m -96.93 154.34 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 52.6 p -100.44 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -72.3 99.43 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 6.2 t -113.46 90.83 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 8.4 t -120.41 154.63 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -102.34 -24.91 8.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 13.8 p 49.83 41.56 22.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.65 108.05 2.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -104.64 54.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.953 0.406 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -100.93 160.7 25.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.41 37.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -111.94 102.96 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -135.82 124.01 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.56 108.89 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -98.88 31.66 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -118.59 -35.85 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 22.8 p -117.96 -31.19 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.67 72.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -147.7 179.73 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.09 125.02 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -117.08 172.76 7.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -28.0 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.6 170.13 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -87.51 -48.24 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.8 p -52.42 -40.53 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.7 -53.2 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.06 -56.93 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -53.24 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 72.2 m -61.02 -24.83 66.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -84.47 -23.69 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.92 -12.03 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 96.5 t -51.42 -59.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.59 -30.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.75 -74.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 14.9 t -56.41 172.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 130.25 35.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.453 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -93.37 -178.62 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 68.35 3.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -174.43 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 60.0 p -130.87 139.1 50.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 130.1 -178.6 17.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 173.49 10.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 10.0 p -99.03 77.1 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.4 m -96.0 62.36 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 8.3 t -146.62 154.76 41.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.2 t -58.49 103.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -66.01 -165.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 54.3 p -58.04 -28.91 64.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.5 m -133.72 157.35 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 176.35 139.76 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.543 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 37.2 p -110.37 76.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 178.81 93.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -86.04 -27.19 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -131.56 71.45 81.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.71 31.8 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -93.88 130.0 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -144.99 137.29 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.09 113.98 14.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -96.31 35.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -126.04 -42.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.25 -27.44 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 102.37 75.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -146.37 174.91 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.57 123.17 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.17 176.64 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.21 -45.6 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -94.77 152.81 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -71.96 -42.21 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.0 t -54.86 -29.99 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -69.57 -49.69 51.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 19.0 tp -57.16 -47.89 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 40.7 p -60.25 -41.43 93.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 55.0 m -69.35 -25.63 64.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -87.02 -22.58 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.78 -12.95 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 82.7 t -51.29 -61.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.75 -29.82 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -93.74 41.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.32 168.23 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 63.21 76.32 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -94.25 -42.36 8.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -151.15 157.57 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 139.18 39.83 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.393 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.5 t -115.0 133.11 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -73.69 -71.47 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.72 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.403 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.5 m -69.75 -32.38 70.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 3.5 t -115.64 115.18 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.939 0.4 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -142.77 107.17 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 16.5 t -58.41 111.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.34 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -127.35 -40.62 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.15 -29.25 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.45 63.83 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -133.15 178.48 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.52 124.77 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.29 -174.55 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -51.41 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.99 171.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.42 -44.06 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 t -52.27 -36.93 54.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -65.66 -40.52 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.03 -55.69 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 36.5 p -52.04 -46.28 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 60.5 m -61.1 -25.15 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -89.97 -22.39 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.27 -13.33 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.2 -62.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.66 -30.03 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -143.72 117.07 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.41 121.0 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -102.83 37.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -122.87 -46.73 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.66 -29.15 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.37 76.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -137.99 -179.4 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -151.6 121.83 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -118.26 174.1 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -113.35 -40.64 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.82 139.7 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -61.96 -35.14 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 74.0 m -58.15 -27.27 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -78.53 -43.14 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.38 -46.97 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.4 p -59.43 -40.27 86.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 89.3 m -69.63 -26.02 64.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.33 -22.38 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.5 -13.17 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 84.9 t -51.23 -62.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.67 -30.01 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -122.76 136.79 54.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.65 115.9 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -100.93 35.58 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -121.81 -43.83 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.02 -29.35 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 110.0 78.59 1.01 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -143.81 177.42 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.71 125.04 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -123.99 165.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -108.62 -36.2 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.17 129.68 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -54.52 -27.83 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -28.85 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.71 -31.41 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.533 HD11 HE21 ' A' ' 504' ' ' GLN . 21.6 tp -67.37 -48.71 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 5.2 p -58.7 -50.45 73.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 3.1 m -57.09 -27.16 61.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -88.84 -22.71 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' GLN . . . . . 0.533 HE21 HD11 ' A' ' 500' ' ' LEU . 21.4 mm-40 -68.08 -12.72 61.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 79.1 t -51.28 -61.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.69 -29.89 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.871 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 485' ' ' TYR . . . . . 0.536 ' HB3' HD22 ' A' ' 500' ' ' LEU . 60.4 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -129.99 129.18 43.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.97 111.11 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -96.56 28.68 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -111.28 -42.75 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.73 -29.57 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.75 65.86 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -136.18 176.86 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 124.5 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.41 161.29 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -98.31 -31.21 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.99 161.6 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -84.18 -41.01 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 87.7 p -56.32 -27.38 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -77.33 -35.0 55.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 485' ' ' TYR . 16.3 tp -68.11 -54.55 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 32.5 p -52.6 -42.03 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 505' ' ' VAL . 20.7 m -68.31 -24.98 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -84.89 -22.78 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -68.13 -12.69 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 502' ' ' THR . 94.1 t -51.23 -61.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.1 pt -51.74 -29.96 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.916 0.388 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -141.3 114.75 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 34.4 t -58.73 115.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -98.52 43.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -130.09 -48.23 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.92 -29.18 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.33 71.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -137.12 178.53 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.24 125.79 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.19 161.69 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -96.14 -41.67 8.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -98.09 174.74 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -91.45 -42.27 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 9.2 t -53.2 -33.51 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.06 -37.66 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.66 -56.07 9.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 3.3 p -51.92 -43.15 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 505' ' ' VAL . 30.2 m -68.79 -25.36 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -84.35 -22.95 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -68.27 -12.5 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 502' ' ' THR . 97.8 t -51.31 -60.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.74 -29.88 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.9 129.42 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 17.1 t -70.45 115.0 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -96.54 33.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -122.19 -44.49 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.42 -27.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 103.7 75.2 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -141.24 174.81 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.32 125.67 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -117.91 -177.24 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -118.18 -47.6 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -90.28 150.41 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.09 -43.02 79.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 16.6 p -56.37 -39.48 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.65 -51.19 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.83 -53.01 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -50.74 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 5.1 m -58.63 -25.98 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -87.66 -22.95 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -68.29 -12.57 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.22 -61.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.66 -30.04 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.39 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 125.77 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.23 119.41 12.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -101.66 28.02 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -115.92 -46.22 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.89 -28.14 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.2 84.12 1.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -149.29 178.72 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -145.44 124.5 12.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -119.71 168.34 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -105.21 -40.95 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.12 157.71 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -70.89 -39.89 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 42.7 t -52.79 -41.9 64.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -58.83 -41.73 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.23 -33.74 54.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 505' ' ' VAL . 37.0 m -80.84 -24.65 38.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -84.58 -24.14 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -69.42 -11.65 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 502' ' ' THR . 97.9 t -51.43 -58.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.67 -30.2 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -137.85 111.07 7.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.38 114.25 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -98.38 28.64 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -113.31 -43.43 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.69 -30.59 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.95 63.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -136.52 -178.48 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 118.9 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -106.2 171.0 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -108.92 -29.75 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -102.89 169.71 8.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -90.53 -36.56 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 m -64.88 -28.03 69.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -69.64 -38.1 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.33 -56.9 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -37.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 505' ' ' VAL . 87.0 m -77.94 -24.0 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.5 -23.84 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -69.43 -11.72 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 502' ' ' THR . 96.2 t -51.41 -57.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.2 pt -52.74 -30.12 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -118.11 123.14 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.55 114.27 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.97 34.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -123.89 -37.62 2.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.15 -29.67 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 104.56 73.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -141.01 -179.78 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -152.95 120.69 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -113.46 175.63 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -112.06 -45.93 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ALA . . . . . 0.447 ' HB3' ' ND2' ' A' ' 499' ' ' ASN . . . -91.02 154.62 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -71.97 -48.01 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.6 t -52.59 -30.15 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 496' ' ' ALA . 74.6 m-20 -66.45 -49.04 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.62 -53.28 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -54.82 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 505' ' ' VAL . 87.6 m -57.31 -25.22 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -86.37 -22.99 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -69.43 -11.59 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 502' ' ' THR . 91.0 t -51.26 -56.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.404 HD11 ' NE2' ' A' ' 507' ' ' HIS . 23.9 pt -55.52 -29.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' HIS . . . . . 0.404 ' NE2' HD11 ' A' ' 506' ' ' ILE . 75.9 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' TYR . . . . . 0.466 ' HB3' HD22 ' A' ' 500' ' ' LEU . 38.2 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 121.64 21.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.0 t -63.44 113.39 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.47 28.05 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -113.28 -44.96 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -112.45 -30.24 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.67 74.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -144.6 169.95 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -141.18 124.82 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -121.19 155.91 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -96.07 -30.82 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.74 139.17 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -67.26 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 23.5 m -56.82 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.29 -40.96 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 485' ' ' TYR . 14.4 tp -60.55 -57.67 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 39.8 p -51.93 -49.67 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 505' ' ' VAL . 25.7 m -62.97 -25.03 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -85.69 -22.39 27.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -69.02 -11.88 61.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 502' ' ' THR . 93.9 t -51.26 -58.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.62 -30.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.933 0.397 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -119.07 103.39 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 t -60.34 110.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -97.25 26.21 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -110.3 -35.66 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 11.1 p -119.63 -34.24 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.97 45.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -118.99 174.66 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -144.05 125.68 15.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.95 157.8 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -111.84 26.26 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -150.02 154.61 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.35 -53.87 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.5 t -52.47 -44.87 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -54.25 -49.29 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 19.3 tp -57.18 -54.92 41.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -56.06 17.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 505' ' ' VAL . 62.6 m -58.18 -24.53 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -85.01 -23.34 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.88 -11.22 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 502' ' ' THR . 96.3 t -51.42 -55.14 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.6 pt -54.23 -30.01 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 134.84 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.93 112.11 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -101.41 39.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -128.31 -41.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -110.98 -29.0 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.09 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 175.89 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.11 125.67 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -134.61 158.91 42.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.09 -29.08 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -92.65 138.75 31.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -64.0 -42.47 97.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.0 m -60.46 -30.61 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -66.67 -43.76 83.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.83 -57.79 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 10.3 p -52.36 -42.24 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 505' ' ' VAL . 56.3 m -73.21 -22.5 60.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.08 -23.99 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.33 -10.91 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 502' ' ' THR . 84.0 t -51.5 -53.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 pt -57.29 -29.31 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.995 0.426 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -114.52 127.32 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.87 119.17 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -109.3 29.28 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -117.78 -38.35 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.47 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.86 82.67 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -152.86 -179.1 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.12 125.41 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.09 170.18 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -108.29 -30.32 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.44 169.8 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -87.29 -37.62 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 -36.98 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.58 -37.48 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.1 tp -70.19 -57.93 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 82.0 p -51.8 -51.58 55.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 505' ' ' VAL . 89.9 m -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -85.72 -24.73 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.63 -9.78 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 502' ' ' THR . 97.7 t -51.51 -41.87 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.0 pt -68.69 -29.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.91 0.386 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -130.88 125.48 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.72 114.08 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.12 26.16 7.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -110.17 -42.44 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.29 -29.4 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.73 81.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -150.86 179.43 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.21 124.21 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.36 169.56 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -107.66 -32.58 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -109.08 155.12 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -70.36 -40.55 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 14.5 m -53.65 -46.13 70.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -53.76 -44.31 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.3 -58.97 6.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 2.3 p -51.8 -47.42 64.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 505' ' ' VAL . 5.9 m -66.12 -24.64 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -84.55 -23.95 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.21 -11.83 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 502' ' ' THR . 95.7 t -51.36 -58.81 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.5 pt -51.66 -30.12 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.931 0.396 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -147.2 119.46 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 15.5 t -52.78 124.62 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -103.32 35.44 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -127.44 -41.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.81 -28.83 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 100.3 71.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -136.59 172.87 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -134.36 123.75 24.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.79 134.31 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -78.13 -33.53 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -100.01 148.06 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -76.02 -36.75 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 m -60.65 -26.75 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.04 -35.2 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.74 -56.37 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -31.1 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 505' ' ' VAL . 31.1 m -83.24 -25.11 31.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -84.56 -23.28 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.87 -12.11 61.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 502' ' ' THR . 96.9 t -51.33 -59.89 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.63 -30.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.893 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -118.51 125.76 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 6.8 t -62.81 126.97 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -111.26 27.18 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.09 -41.54 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.2 p -112.68 -34.0 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.48 74.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -144.37 -179.33 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.14 125.12 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.77 167.98 10.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -105.46 -30.96 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -113.12 158.37 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.36 -36.45 60.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 3.0 m -55.15 -34.27 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.03 -40.63 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.75 -57.2 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 24.3 p -56.59 -44.26 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 505' ' ' VAL . 85.2 m -68.34 -24.42 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -85.34 -23.44 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -70.59 -10.57 59.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 502' ' ' THR . 98.5 t -51.49 -49.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.1 pt -62.61 -29.94 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -137.75 107.86 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.2 t -59.03 109.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -100.69 32.52 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.76 -37.11 3.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.7 -30.57 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.48 69.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -144.03 179.39 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.91 124.03 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -117.68 171.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -111.48 -30.44 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -103.33 167.23 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -86.29 -45.38 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 18.0 m -54.94 -30.77 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -69.19 -40.23 78.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.61 -55.25 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -43.04 72.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 505' ' ' VAL . 92.9 m -69.66 -24.5 63.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -84.91 -24.96 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -71.76 -9.65 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 502' ' ' THR . 84.8 t -51.55 -39.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 21.8 pt -70.72 -29.81 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.865 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 485' ' ' TYR . . . . . 0.578 ' HB3' HD22 ' A' ' 500' ' ' LEU . 27.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -119.44 135.0 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 31.1 t -86.64 109.8 19.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -93.92 41.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -127.08 -45.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.6 p -111.36 -29.82 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.06 55.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -130.25 -179.71 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -157.1 122.88 4.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -112.92 172.62 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -112.25 -30.01 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.86 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -73.27 -35.04 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.2 m -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -61.45 -45.97 92.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 485' ' ' TYR . 28.4 tp -59.08 -51.5 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -28.33 63.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 505' ' ' VAL . 24.0 m -84.08 -24.99 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -84.0 -22.72 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.07 -12.73 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 502' ' ' THR . 99.1 t -51.3 -61.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.8 -29.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -135.82 124.01 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.56 108.89 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -98.88 31.66 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -118.59 -35.85 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 22.8 p -117.96 -31.19 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.67 72.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -147.7 179.73 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.09 125.02 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -117.08 172.76 7.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -28.0 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.6 170.13 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -87.51 -48.24 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.8 p -52.42 -40.53 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.7 -53.2 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.06 -56.93 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -53.24 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 502' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 505' ' ' VAL . 72.2 m -61.02 -24.83 66.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -84.47 -23.69 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.92 -12.03 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 502' ' ' THR . 96.5 t -51.42 -59.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.59 -30.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 485' ' ' TYR . . . . . 0.412 ' HB3' HD22 ' A' ' 500' ' ' LEU . 90.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -144.99 137.29 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.09 113.98 14.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -96.31 35.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -126.04 -42.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.25 -27.44 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 102.37 75.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -146.37 174.91 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.57 123.17 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.17 176.64 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.21 -45.6 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -94.77 152.81 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -71.96 -42.21 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.0 t -54.86 -29.99 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -69.57 -49.69 51.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 485' ' ' TYR . 19.0 tp -57.16 -47.89 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 40.7 p -60.25 -41.43 93.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 55.0 m -69.35 -25.63 64.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -87.02 -22.58 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.78 -12.95 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 82.7 t -51.29 -61.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.75 -29.82 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 14.4 p -114.73 167.57 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 20.0 p -174.86 135.85 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 129.53 109.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.1 t -154.66 122.11 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 9.7 m -92.99 128.0 38.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -97.49 100.87 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 34.2 p -103.49 155.36 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -105.39 65.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.91 -26.67 36.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.54 70.93 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.538 0.685 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.09 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -101.32 124.16 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -142.77 107.17 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 16.5 t -58.41 111.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.34 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -127.35 -40.62 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.15 -29.25 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.45 63.83 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -133.15 178.48 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.52 124.77 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.29 -174.55 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -51.41 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.99 171.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.42 -44.06 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 t -52.27 -36.93 54.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -65.66 -40.52 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.03 -55.69 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 36.5 p -52.04 -46.28 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 60.5 m -61.1 -25.15 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -89.97 -22.39 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.27 -13.33 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 508' ' ' THR . 91.4 t -51.2 -62.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.66 -30.03 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -93.68 41.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -81.28 127.49 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -71.31 -163.28 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -113.26 98.49 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? 55.01 72.3 1.1 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.14 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 1.9 m -61.36 120.75 11.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 99.64 -179.44 30.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.55 2.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.386 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 26.5 t -63.08 -34.07 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t 60.36 27.97 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.492 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.1 m -129.19 150.89 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 11.9 p -145.77 143.78 29.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 55.33 82.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 87.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.8 t -81.87 72.41 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -91.69 -53.91 2.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 7.5 t -58.67 129.3 41.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 136.7 95.97 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -99.2 154.87 17.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.95 71.92 0.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -17.28 37.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.238 . . . . 0.0 112.335 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.48 117.38 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -143.72 117.07 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.41 121.0 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -102.83 37.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -122.87 -46.73 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.66 -29.15 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.37 76.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -137.99 -179.4 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -151.6 121.83 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -118.26 174.1 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -113.35 -40.64 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.82 139.7 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -61.96 -35.14 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 74.0 m -58.15 -27.27 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -78.53 -43.14 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.38 -46.97 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.4 p -59.43 -40.27 86.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 89.3 m -69.63 -26.02 64.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.33 -22.38 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.5 -13.17 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 508' ' ' THR . 84.9 t -51.23 -62.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.67 -30.01 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -93.77 41.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -80.55 -49.32 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -103.77 63.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.72 142.76 57.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -157.13 73.04 4.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.746 2.297 . . . . 0.0 112.354 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.6 t -149.64 129.6 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 163.55 177.83 36.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.08 33.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 16.8 m -64.33 102.49 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 68.9 m -90.65 166.12 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.451 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.5 t -125.28 103.38 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 29.2 m -84.51 74.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -108.67 165.69 12.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.9 t -84.34 105.7 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 12.8 m -113.66 96.99 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -144.9 -75.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.3 t -168.46 146.28 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 162.1 84.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -110.64 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -151.62 72.09 8.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.14 31.03 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -92.04 87.73 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -122.76 136.79 54.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.65 115.9 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -100.93 35.58 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -121.81 -43.83 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.02 -29.35 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 110.0 78.59 1.01 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -143.81 177.42 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.71 125.04 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -123.99 165.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -108.62 -36.2 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.17 129.68 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -54.52 -27.83 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -28.85 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.71 -31.41 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.533 HD11 HE21 ' A' ' 504' ' ' GLN . 21.6 tp -67.37 -48.71 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 5.2 p -58.7 -50.45 73.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 3.1 m -57.09 -27.16 61.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -88.84 -22.71 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.533 HE21 HD11 ' A' ' 500' ' ' LEU . 21.4 mm-40 -68.08 -12.72 61.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 79.1 t -51.28 -61.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.69 -29.89 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -93.73 41.56 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 5.8 t -89.82 139.45 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -174.4 -88.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -127.05 166.49 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.52 72.91 81.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 87.02 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 54.6 p -99.15 115.07 28.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 132.94 175.27 13.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 134.15 27.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.6 t -62.12 -176.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 22.4 p -103.69 46.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.451 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 10.4 m -96.81 125.42 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.3 m -132.89 143.71 49.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -74.59 -164.49 11.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.7 p -116.71 162.97 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 28.6 p -98.46 134.72 41.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -166.12 62.8 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.9 t -105.75 -31.52 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 153.32 171.3 20.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -104.83 111.21 23.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -168.79 69.16 0.73 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.5 36.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' TYR . . . . . 0.536 ' HB3' HD22 ' A' ' 500' ' ' LEU . 60.4 m-85 -104.7 104.07 13.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -129.99 129.18 43.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.97 111.11 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -96.56 28.68 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -111.28 -42.75 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.73 -29.57 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.75 65.86 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -136.18 176.86 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 124.5 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.41 161.29 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -98.31 -31.21 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.99 161.6 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -84.18 -41.01 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 87.7 p -56.32 -27.38 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -77.33 -35.0 55.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 485' ' ' TYR . 16.3 tp -68.11 -54.55 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 32.5 p -52.6 -42.03 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 505' ' ' VAL . 20.7 m -68.31 -24.98 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -84.89 -22.78 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -68.13 -12.69 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 508' ' ' THR . 94.1 t -51.23 -61.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.1 pt -51.74 -29.96 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -93.65 41.57 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -80.88 168.26 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -81.98 95.6 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.65 -34.02 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -133.91 68.59 75.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 118.6 5.78 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.274 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 p -87.06 172.09 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -79.49 -174.2 45.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.24 39.96 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.3 t -109.22 127.58 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.8 t 55.48 27.91 10.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.492 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 63.4 p -115.73 84.85 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 9.9 p -147.92 174.2 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -105.24 68.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.8 m -87.25 -42.06 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.1 m -106.79 131.44 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -148.64 153.05 24.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 58.6 p -123.54 117.65 25.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -104.37 92.38 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -76.81 -27.33 55.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.35 70.07 62.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.92 34.41 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.746 2.298 . . . . 0.0 112.364 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -99.16 117.51 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -141.3 114.75 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 34.4 t -58.73 115.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -98.52 43.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -130.09 -48.23 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.92 -29.18 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.33 71.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -137.12 178.53 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.24 125.79 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.19 161.69 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -96.14 -41.67 8.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -98.09 174.74 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -91.45 -42.27 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 9.2 t -53.2 -33.51 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.06 -37.66 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.66 -56.07 9.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 3.3 p -51.92 -43.15 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 505' ' ' VAL . 30.2 m -68.79 -25.36 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -84.35 -22.95 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -68.27 -12.5 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 502' ' ' THR . 97.8 t -51.31 -60.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.74 -29.88 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.9 t -89.95 -33.75 16.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -93.1 85.51 1.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -89.4 108.1 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 38.2 tttm 58.85 71.79 0.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.62 40.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.91 145.02 31.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 158.33 -75.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 130.83 19.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 15.2 p -159.0 149.3 19.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.1 t 56.91 31.86 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.461 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 4.7 m -158.03 169.25 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.5 t -122.49 172.12 8.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -159.17 -167.18 19.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 34.5 p -103.39 117.45 34.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 69.8 m -89.28 54.31 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 89.24 -119.95 5.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.5 p -138.32 148.62 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -162.06 -92.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -94.75 -26.83 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -127.78 71.36 78.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.43 37.15 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.69 123.04 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.9 129.42 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 17.1 t -70.45 115.0 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -96.54 33.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -122.19 -44.49 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.42 -27.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 103.7 75.2 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -141.24 174.81 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.32 125.67 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -117.91 -177.24 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -118.18 -47.6 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -90.28 150.41 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.09 -43.02 79.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 16.6 p -56.37 -39.48 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.65 -51.19 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.83 -53.01 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -50.74 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 5.1 m -58.63 -25.98 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -87.66 -22.95 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -68.29 -12.57 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.22 -61.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.66 -30.04 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -94.96 37.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 11.5 t -89.78 152.78 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -155.32 133.68 3.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -113.46 27.73 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -139.36 71.66 38.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.71 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.3 p -69.2 125.7 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -90.81 166.02 31.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 138.04 36.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.1 t -61.34 128.12 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -56.65 159.39 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 8.6 p -116.7 -30.97 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.1 t -174.13 150.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -110.74 37.58 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 24.0 m -120.17 48.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.6 t -83.08 127.82 33.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -102.13 166.5 17.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 1.6 p -74.76 74.83 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -153.71 124.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.28 152.55 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -173.3 72.13 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -16.92 37.94 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -106.4 135.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 125.77 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.23 119.41 12.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -101.66 28.02 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -115.92 -46.22 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.89 -28.14 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.2 84.12 1.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -149.29 178.72 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -145.44 124.5 12.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -119.71 168.34 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -105.21 -40.95 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.12 157.71 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -70.89 -39.89 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 42.7 t -52.79 -41.9 64.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -58.83 -41.73 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.23 -33.74 54.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 505' ' ' VAL . 37.0 m -80.84 -24.65 38.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -84.58 -24.14 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -69.42 -11.65 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 502' ' ' THR . 97.9 t -51.43 -58.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.67 -30.2 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -79.86 -34.05 39.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 75.7 p -83.25 162.71 21.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 135.07 -21.13 3.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.22 -27.91 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 22.6 mttm 56.0 73.46 0.83 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -21.69 33.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 2.1 p -89.53 122.67 32.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.39 72.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.34 26.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 29.7 t -118.49 143.45 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 38.2 m -83.52 -32.76 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.443 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 13.7 t -72.05 105.5 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 22.2 p -75.51 118.48 18.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 168.75 64.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.6 p -132.01 85.76 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 11.5 t -134.01 64.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -162.14 95.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 1.4 p -126.35 151.36 47.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -133.85 43.49 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.39 120.52 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -127.87 69.52 76.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.8 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -100.28 125.38 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -137.85 111.07 7.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.38 114.25 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -98.38 28.64 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -113.31 -43.43 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.69 -30.59 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.95 63.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -136.52 -178.48 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 118.9 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -106.2 171.0 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -108.92 -29.75 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -102.89 169.71 8.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -90.53 -36.56 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 m -64.88 -28.03 69.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -69.64 -38.1 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.33 -56.9 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -37.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 505' ' ' VAL . 87.0 m -77.94 -24.0 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.5 -23.84 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -69.43 -11.72 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 502' ' ' THR . 96.2 t -51.41 -57.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.2 pt -52.74 -30.12 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -79.95 -31.23 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 81.3 p -86.68 127.99 34.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.72 6.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -106.46 -50.33 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -116.14 72.73 4.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.48 66.99 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 58.2 p -98.07 97.77 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 141.55 -71.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 168.82 20.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 10.3 p -106.39 -52.65 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.4 m 54.72 52.73 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.458 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.3 t -127.68 69.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 10.5 p -82.47 159.51 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -154.29 -157.84 8.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 53.3 p -124.91 135.77 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 43.0 t -152.33 129.03 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -137.07 76.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 85.2 m -66.84 140.72 57.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.109 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 85.11 123.48 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.74 119.72 24.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -126.78 71.64 74.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -24.14 30.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -98.35 86.44 3.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -118.11 123.14 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.55 114.27 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.97 34.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -123.89 -37.62 2.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.15 -29.67 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 104.56 73.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -141.01 -179.78 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -152.95 120.69 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -113.46 175.63 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -112.06 -45.93 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ALA . . . . . 0.447 ' HB3' ' ND2' ' A' ' 499' ' ' ASN . . . -91.02 154.62 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -71.97 -48.01 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.6 t -52.59 -30.15 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 496' ' ' ALA . 74.6 m-20 -66.45 -49.04 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.62 -53.28 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -54.82 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 505' ' ' VAL . 87.6 m -57.31 -25.22 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -86.37 -22.99 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -69.43 -11.59 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 502' ' ' THR . 91.0 t -51.26 -56.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.404 HD11 ' NE2' ' A' ' 507' ' ' HIS . 23.9 pt -55.52 -29.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' HIS . . . . . 0.404 ' NE2' HD11 ' A' ' 506' ' ' ILE . 75.9 m-70 -97.32 25.76 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.8 m -89.98 -43.82 10.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -88.09 115.17 4.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.12 139.01 48.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -137.39 70.56 53.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.95 35.12 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -71.2 83.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -107.94 173.31 18.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 133.81 26.54 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.0 m -152.07 158.02 42.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 74.8 m -82.35 -26.54 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.487 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 3.2 t -144.63 108.52 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 17.2 p -102.41 161.09 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -171.78 40.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 4.8 t -173.91 159.51 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.0 t -119.18 87.62 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 111.07 165.92 18.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.8 m -72.14 114.06 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -85.34 136.08 14.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.76 44.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.948 0.404 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -124.55 71.56 58.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -20.82 34.2 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.278 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' TYR . . . . . 0.466 ' HB3' HD22 ' A' ' 500' ' ' LEU . 38.2 m-85 -108.12 106.83 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 121.64 21.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.0 t -63.44 113.39 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.47 28.05 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -113.28 -44.96 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -112.45 -30.24 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.67 74.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -144.6 169.95 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -141.18 124.82 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -121.19 155.91 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -96.07 -30.82 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.74 139.17 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -67.26 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 23.5 m -56.82 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.29 -40.96 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 485' ' ' TYR . 14.4 tp -60.55 -57.67 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 39.8 p -51.93 -49.67 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 505' ' ' VAL . 25.7 m -62.97 -25.03 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -85.69 -22.39 27.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -69.02 -11.88 61.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 508' ' ' THR . 93.9 t -51.26 -58.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.62 -30.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -93.72 41.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -79.64 90.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 95.91 122.95 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.16 129.52 56.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -157.97 69.73 4.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.51 53.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 56.9 m -67.46 167.99 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 165.97 177.74 38.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.03 4.61 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.3 t 54.94 38.57 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.1 t -94.74 111.02 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 114.57 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 26.8 p -56.41 169.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 98.66 119.77 4.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 91.1 p -158.81 120.44 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 41.2 p -110.39 134.27 52.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -158.22 30.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.7 t -116.06 137.57 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -95.86 -73.43 1.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 33.13 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -135.76 69.23 65.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.44 36.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.19 93.98 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -119.07 103.39 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 t -60.34 110.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -97.25 26.21 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -110.3 -35.66 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 11.1 p -119.63 -34.24 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.97 45.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -118.99 174.66 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -144.05 125.68 15.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.95 157.8 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -111.84 26.26 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -150.02 154.61 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.35 -53.87 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.5 t -52.47 -44.87 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -54.25 -49.29 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 19.3 tp -57.18 -54.92 41.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -56.06 17.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 505' ' ' VAL . 62.6 m -58.18 -24.53 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -85.01 -23.34 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.428 ' O ' HG23 ' A' ' 508' ' ' THR . 73.9 mt-30 -69.88 -11.22 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 502' ' ' THR . 96.3 t -51.42 -55.14 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.6 pt -54.23 -30.01 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -82.73 -25.69 32.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 504' ' ' GLN . 81.2 p -89.87 174.51 7.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -175.7 160.36 28.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -102.08 -58.28 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -129.86 71.28 82.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 86.08 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.9 t -158.62 134.6 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -129.61 74.19 0.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 23.2 p -123.33 -47.66 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.2 t -69.65 -54.1 15.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.498 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.5 p -98.17 164.38 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 73.2 m -84.56 -31.02 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 159.21 -61.73 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 5.2 p -92.31 161.18 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 51.7 p -122.04 -34.79 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 130.76 105.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 47.6 p -119.68 117.97 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -133.19 -129.1 2.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -95.02 -27.49 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 72.84 72.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -17.08 37.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.64 2.227 . . . . 0.0 112.385 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -102.66 50.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 134.84 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.93 112.11 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -101.41 39.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -128.31 -41.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -110.98 -29.0 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.09 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 175.89 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.11 125.67 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -134.61 158.91 42.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.09 -29.08 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -92.65 138.75 31.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -64.0 -42.47 97.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.0 m -60.46 -30.61 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -66.67 -43.76 83.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.83 -57.79 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 10.3 p -52.36 -42.24 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 505' ' ' VAL . 56.3 m -73.21 -22.5 60.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.08 -23.99 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 508' ' ' THR . 24.2 mt-30 -70.33 -10.91 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 502' ' ' THR . 84.0 t -51.5 -53.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 pt -57.29 -29.31 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -78.95 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 504' ' ' GLN . 9.7 t -51.73 -29.83 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -80.83 62.12 4.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -131.83 30.7 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -163.73 69.88 1.73 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.271 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.52 99.59 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 69.95 166.26 5.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.05 39.32 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.8 p -147.4 138.41 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.2 t -126.45 79.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.465 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 45.1 m -119.89 -44.19 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.4 t -121.45 115.52 23.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -154.03 151.34 23.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -52.09 124.2 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 53.4 p -69.16 -177.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 101.65 27.57 7.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 11.6 m -113.83 69.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -170.1 -155.66 10.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -116.15 38.59 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -141.44 68.55 26.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -19.06 36.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -95.95 75.85 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -114.52 127.32 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.87 119.17 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -109.3 29.28 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -117.78 -38.35 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.47 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.86 82.67 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -152.86 -179.1 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.12 125.41 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.09 170.18 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -108.29 -30.32 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.44 169.8 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -87.29 -37.62 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 -36.98 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.58 -37.48 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.1 tp -70.19 -57.93 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 82.0 p -51.8 -51.58 55.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 505' ' ' VAL . 89.9 m -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -85.72 -24.73 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.63 -9.78 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 502' ' ' THR . 97.7 t -51.51 -41.87 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.0 pt -68.69 -29.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -80.74 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.8 t -82.04 160.87 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 99.38 -66.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.76 152.14 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm 59.56 71.77 0.87 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 106.71 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.411 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 30.3 p -105.32 138.88 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -175.48 71.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -29.99 22.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.7 m -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.4 m -107.88 -59.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 27.7 p -88.15 101.13 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.1 t -70.47 136.7 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 159.67 55.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.44 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 2.4 t -105.45 156.85 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 15.6 t -137.18 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -170.27 126.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 9.8 m -125.52 125.98 44.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -175.25 -130.88 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.413 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -111.13 63.57 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.937 0.398 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -156.83 70.89 4.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.91 34.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.08 113.68 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -130.88 125.48 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.72 114.08 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.12 26.16 7.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -110.17 -42.44 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.29 -29.4 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.73 81.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -150.86 179.43 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.21 124.21 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.36 169.56 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -107.66 -32.58 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -109.08 155.12 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -70.36 -40.55 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 14.5 m -53.65 -46.13 70.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -53.76 -44.31 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.3 -58.97 6.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 2.3 p -51.8 -47.42 64.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 505' ' ' VAL . 5.9 m -66.12 -24.64 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -84.55 -23.95 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.21 -11.83 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 502' ' ' THR . 95.7 t -51.36 -58.81 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.5 pt -51.66 -30.12 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -79.42 -34.42 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 80.4 p -81.59 123.47 28.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 144.26 -21.17 2.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -106.76 -74.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -61.76 160.67 25.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 48.9 m -116.81 153.5 32.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -135.17 -174.09 13.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 1.1 m -65.66 128.36 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 15.9 m 53.36 44.59 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.493 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 10.4 p -96.75 175.61 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 40.8 p -99.01 85.07 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -99.11 95.97 1.63 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 54.5 m -68.88 -46.66 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.6 t -100.72 176.39 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -149.29 -102.35 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 15.2 t -146.25 160.44 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -171.09 -167.2 31.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -118.31 88.98 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -154.86 72.76 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.86 31.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -97.22 128.5 44.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -147.2 119.46 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 15.5 t -52.78 124.62 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -103.32 35.44 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -127.44 -41.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.81 -28.83 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 100.3 71.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -136.59 172.87 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -134.36 123.75 24.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.79 134.31 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -78.13 -33.53 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -100.01 148.06 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -76.02 -36.75 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 m -60.65 -26.75 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.04 -35.2 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.74 -56.37 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -31.1 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 505' ' ' VAL . 31.1 m -83.24 -25.11 31.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -84.56 -23.28 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.87 -12.11 61.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 508' ' ' THR . 96.9 t -51.33 -59.89 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.63 -30.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -93.63 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -81.96 -52.91 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -61.41 -30.02 73.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.44 118.01 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 160.2 26.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.61 45.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.395 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -101.72 -30.58 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 151.43 68.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -22.43 32.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 1.4 m 59.14 35.59 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 59.5 m -69.43 -175.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.14 36.29 24.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 47.6 m -106.18 -39.5 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 80.77 178.75 52.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.8 m -122.97 132.18 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 32.5 t -87.82 135.81 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 110.75 93.88 2.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.0 m 63.24 40.33 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -96.76 67.41 0.92 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.68 152.92 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -150.17 69.38 8.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -17.75 37.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -104.58 87.29 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -118.51 125.76 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 6.8 t -62.81 126.97 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -111.26 27.18 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.09 -41.54 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.2 p -112.68 -34.0 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.48 74.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -144.37 -179.33 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.14 125.12 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.77 167.98 10.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -105.46 -30.96 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -113.12 158.37 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.36 -36.45 60.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 3.0 m -55.15 -34.27 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.03 -40.63 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.75 -57.2 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 24.3 p -56.59 -44.26 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 505' ' ' VAL . 85.2 m -68.34 -24.42 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -85.34 -23.44 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 508' ' ' THR . 43.7 mt-30 -70.59 -10.57 59.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 502' ' ' THR . 98.5 t -51.49 -49.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.1 pt -62.61 -29.94 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -78.93 -74.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 504' ' ' GLN . 15.2 t -52.53 -28.94 22.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -80.63 -148.71 5.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.92 125.08 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -66.82 160.64 67.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -41.74 3.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 4.2 p -172.24 113.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 60.72 -178.96 3.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 118.26 5.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.0 t -60.77 -37.46 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.5 t 62.01 34.91 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 2.5 t -120.94 109.07 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.868 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.9 p -169.96 134.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.17 1.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 13.1 t -100.96 123.06 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 9.6 t -132.51 156.02 47.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 149.87 141.04 3.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 44.1 p -86.24 73.19 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.068 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 59.43 -131.64 51.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -82.42 130.63 35.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -127.79 73.25 78.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -16.92 37.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -112.57 105.06 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -137.75 107.86 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.2 t -59.03 109.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -100.69 32.52 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.76 -37.11 3.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.7 -30.57 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.48 69.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -144.03 179.39 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.91 124.03 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -117.68 171.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -111.48 -30.44 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -103.33 167.23 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -86.29 -45.38 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 18.0 m -54.94 -30.77 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -69.19 -40.23 78.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.61 -55.25 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -43.04 72.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 505' ' ' VAL . 92.9 m -69.66 -24.5 63.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -84.91 -24.96 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 508' ' ' THR . 16.0 mm-40 -71.76 -9.65 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 502' ' ' THR . 84.8 t -51.55 -39.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 21.8 pt -70.72 -29.81 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -81.23 -25.31 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 504' ' ' GLN . 58.5 p -76.51 141.5 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 155.71 66.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -110.67 120.09 41.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -108.48 160.67 26.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 117.16 4.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.2 t -111.27 88.0 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -133.64 175.71 20.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 159.97 51.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 75.1 p -100.59 128.11 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 169.45 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.486 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.4 m -84.96 163.78 18.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.2 m -71.79 147.52 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -81.71 -83.67 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 58.6 m -118.54 116.24 26.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.838 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 28.8 t -103.0 -46.85 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 129.56 174.22 13.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 15.0 t -112.35 166.1 11.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -164.47 35.24 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.78 150.73 45.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -103.29 159.27 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.06 35.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' TYR . . . . . 0.578 ' HB3' HD22 ' A' ' 500' ' ' LEU . 27.6 m-85 -107.7 92.98 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -119.44 135.0 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 31.1 t -86.64 109.8 19.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -93.92 41.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -127.08 -45.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.6 p -111.36 -29.82 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.06 55.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -130.25 -179.71 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -157.1 122.88 4.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -112.92 172.62 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -112.25 -30.01 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.86 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -73.27 -35.04 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.2 m -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -61.45 -45.97 92.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 485' ' ' TYR . 28.4 tp -59.08 -51.5 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -28.33 63.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 505' ' ' VAL . 24.0 m -84.08 -24.99 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -84.0 -22.72 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.07 -12.73 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 502' ' ' THR . 99.1 t -51.3 -61.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.8 -29.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -93.78 41.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 6.0 t -89.68 -31.44 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -107.63 123.71 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -151.75 134.51 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -159.81 70.51 3.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.3 46.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.636 2.224 . . . . 0.0 112.389 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 72.8 m -87.9 155.92 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -73.23 -71.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.71 3.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.2 t 56.52 45.02 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 20.1 m -126.03 76.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.491 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 3.3 m -96.93 154.34 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 52.6 p -100.44 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -72.3 99.43 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 6.2 t -113.46 90.83 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 8.4 t -120.41 154.63 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -102.34 -24.91 8.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 13.8 p 49.83 41.56 22.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.65 108.05 2.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -104.64 54.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.953 0.406 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -100.93 160.7 25.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.41 37.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -111.94 102.96 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -135.82 124.01 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.56 108.89 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -98.88 31.66 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -118.59 -35.85 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 22.8 p -117.96 -31.19 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.67 72.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -147.7 179.73 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.09 125.02 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -117.08 172.76 7.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -28.0 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.6 170.13 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -87.51 -48.24 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.8 p -52.42 -40.53 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.7 -53.2 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.06 -56.93 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -53.24 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 502' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 505' ' ' VAL . 72.2 m -61.02 -24.83 66.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -84.47 -23.69 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' GLN . . . . . 0.414 ' O ' HG22 ' A' ' 508' ' ' THR . 77.5 mt-30 -68.92 -12.03 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 502' ' ' THR . 96.5 t -51.42 -59.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.59 -30.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.75 -74.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 504' ' ' GLN . 14.9 t -56.41 172.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 130.25 35.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.453 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -93.37 -178.62 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 68.35 3.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -174.43 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 60.0 p -130.87 139.1 50.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 130.1 -178.6 17.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 173.49 10.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 10.0 p -99.03 77.1 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.4 m -96.0 62.36 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 8.3 t -146.62 154.76 41.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.2 t -58.49 103.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -66.01 -165.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 54.3 p -58.04 -28.91 64.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.5 m -133.72 157.35 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 176.35 139.76 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.543 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 37.2 p -110.37 76.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 178.81 93.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -86.04 -27.19 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -131.56 71.45 81.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.71 31.8 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' TYR . . . . . 0.412 ' HB3' HD22 ' A' ' 500' ' ' LEU . 90.3 m-85 -93.88 130.0 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -144.99 137.29 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.09 113.98 14.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -96.31 35.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -126.04 -42.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.25 -27.44 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 102.37 75.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -146.37 174.91 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.57 123.17 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.17 176.64 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.21 -45.6 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -94.77 152.81 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -71.96 -42.21 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.0 t -54.86 -29.99 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -69.57 -49.69 51.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 485' ' ' TYR . 19.0 tp -57.16 -47.89 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 40.7 p -60.25 -41.43 93.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 55.0 m -69.35 -25.63 64.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -87.02 -22.58 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.78 -12.95 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 508' ' ' THR . 82.7 t -51.29 -61.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.75 -29.82 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -93.74 41.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -78.32 168.23 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 63.21 76.32 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -94.25 -42.36 8.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -151.15 157.57 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 139.18 39.83 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.393 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.5 t -115.0 133.11 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -73.69 -71.47 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.72 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.403 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.5 m -69.75 -32.38 70.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 3.5 t -115.64 115.18 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.939 0.4 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -142.77 107.17 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 16.5 t -58.41 111.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.34 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -127.35 -40.62 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.15 -29.25 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.45 63.83 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -133.15 178.48 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.52 124.77 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.29 -174.55 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -51.41 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.99 171.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.42 -44.06 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 t -52.27 -36.93 54.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -65.66 -40.52 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.03 -55.69 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 36.5 p -52.04 -46.28 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 60.5 m -61.1 -25.15 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -89.97 -22.39 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.27 -13.33 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.2 -62.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.66 -30.03 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.906 0.384 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -143.72 117.07 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.41 121.0 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -102.83 37.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -122.87 -46.73 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.66 -29.15 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.37 76.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -137.99 -179.4 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -151.6 121.83 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -118.26 174.1 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -113.35 -40.64 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.82 139.7 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -61.96 -35.14 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 74.0 m -58.15 -27.27 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -78.53 -43.14 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.38 -46.97 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.4 p -59.43 -40.27 86.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 89.3 m -69.63 -26.02 64.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.33 -22.38 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.5 -13.17 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 84.9 t -51.23 -62.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.67 -30.01 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.938 0.399 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -122.76 136.79 54.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.65 115.9 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -100.93 35.58 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -121.81 -43.83 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.02 -29.35 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 110.0 78.59 1.01 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -143.81 177.42 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.71 125.04 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -123.99 165.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -108.62 -36.2 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.17 129.68 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -54.52 -27.83 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -28.85 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.71 -31.41 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.533 HD11 HE21 ' A' ' 504' ' ' GLN . 21.6 tp -67.37 -48.71 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 5.2 p -58.7 -50.45 73.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 3.1 m -57.09 -27.16 61.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -88.84 -22.71 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . 0.533 HE21 HD11 ' A' ' 500' ' ' LEU . 21.4 mm-40 -68.08 -12.72 61.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 79.1 t -51.28 -61.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.69 -29.89 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.871 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . 0.536 ' HB3' HD22 ' A' ' 500' ' ' LEU . 60.4 m-85 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.93 0.395 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -129.99 129.18 43.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.97 111.11 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -96.56 28.68 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -111.28 -42.75 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.73 -29.57 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.75 65.86 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -136.18 176.86 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 124.5 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.41 161.29 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -98.31 -31.21 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.99 161.6 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -84.18 -41.01 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 87.7 p -56.32 -27.38 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -77.33 -35.0 55.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 485' ' ' TYR . 16.3 tp -68.11 -54.55 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 32.5 p -52.6 -42.03 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 505' ' ' VAL . 20.7 m -68.31 -24.98 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -84.89 -22.78 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -68.13 -12.69 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 502' ' ' THR . 94.1 t -51.23 -61.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.1 pt -51.74 -29.96 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.858 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.916 0.388 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -141.3 114.75 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 34.4 t -58.73 115.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -98.52 43.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -130.09 -48.23 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.92 -29.18 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.33 71.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -137.12 178.53 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.24 125.79 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.19 161.69 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -96.14 -41.67 8.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -98.09 174.74 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -91.45 -42.27 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 9.2 t -53.2 -33.51 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.06 -37.66 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.66 -56.07 9.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 3.3 p -51.92 -43.15 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 505' ' ' VAL . 30.2 m -68.79 -25.36 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -84.35 -22.95 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -68.27 -12.5 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 502' ' ' THR . 97.8 t -51.31 -60.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.74 -29.88 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.9 129.42 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 17.1 t -70.45 115.0 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -96.54 33.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -122.19 -44.49 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.42 -27.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 103.7 75.2 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -141.24 174.81 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.32 125.67 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -117.91 -177.24 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -118.18 -47.6 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -90.28 150.41 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.09 -43.02 79.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 16.6 p -56.37 -39.48 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.65 -51.19 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.83 -53.01 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -50.74 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 5.1 m -58.63 -25.98 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -87.66 -22.95 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -68.29 -12.57 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.22 -61.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.66 -30.04 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.39 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 125.77 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.23 119.41 12.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -101.66 28.02 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -115.92 -46.22 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.89 -28.14 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.2 84.12 1.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -149.29 178.72 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -145.44 124.5 12.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -119.71 168.34 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -105.21 -40.95 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.12 157.71 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -70.89 -39.89 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 42.7 t -52.79 -41.9 64.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -58.83 -41.73 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.23 -33.74 54.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 505' ' ' VAL . 37.0 m -80.84 -24.65 38.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -84.58 -24.14 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -69.42 -11.65 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 502' ' ' THR . 97.9 t -51.43 -58.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.67 -30.2 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.909 0.385 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -137.85 111.07 7.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.38 114.25 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -98.38 28.64 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -113.31 -43.43 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.69 -30.59 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.95 63.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -136.52 -178.48 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 118.9 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -106.2 171.0 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -108.92 -29.75 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -102.89 169.71 8.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -90.53 -36.56 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 m -64.88 -28.03 69.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.64 -38.1 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.33 -56.9 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -37.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 505' ' ' VAL . 87.0 m -77.94 -24.0 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.5 -23.84 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -69.43 -11.72 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 502' ' ' THR . 96.2 t -51.41 -57.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.2 pt -52.74 -30.12 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.959 0.409 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -118.11 123.14 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.55 114.27 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.97 34.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -123.89 -37.62 2.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.15 -29.67 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 104.56 73.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -141.01 -179.78 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -152.95 120.69 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -113.46 175.63 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -112.06 -45.93 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . 0.447 ' HB3' ' ND2' ' A' ' 499' ' ' ASN . . . -91.02 154.62 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -71.97 -48.01 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.6 t -52.59 -30.15 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 496' ' ' ALA . 74.6 m-20 -66.45 -49.04 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.62 -53.28 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -54.82 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 505' ' ' VAL . 87.6 m -57.31 -25.22 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -86.37 -22.99 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -69.43 -11.59 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 502' ' ' THR . 91.0 t -51.26 -56.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.404 HD11 ' NE2' ' A' ' 507' ' ' HIS . 23.9 pt -55.52 -29.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . 0.404 ' NE2' HD11 ' A' ' 506' ' ' ILE . 75.9 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . 0.466 ' HB3' HD22 ' A' ' 500' ' ' LEU . 38.2 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.919 0.39 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 121.64 21.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.0 t -63.44 113.39 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.47 28.05 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -113.28 -44.96 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -112.45 -30.24 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.67 74.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -144.6 169.95 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -141.18 124.82 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -121.19 155.91 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -96.07 -30.82 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.74 139.17 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -67.26 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 23.5 m -56.82 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.29 -40.96 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 485' ' ' TYR . 14.4 tp -60.55 -57.67 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 39.8 p -51.93 -49.67 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 505' ' ' VAL . 25.7 m -62.97 -25.03 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -85.69 -22.39 27.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -69.02 -11.88 61.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 502' ' ' THR . 93.9 t -51.26 -58.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.62 -30.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.886 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.933 0.397 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -119.07 103.39 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 t -60.34 110.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -97.25 26.21 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -110.3 -35.66 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 11.1 p -119.63 -34.24 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.97 45.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -118.99 174.66 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -144.05 125.68 15.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.95 157.8 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -111.84 26.26 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -150.02 154.61 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.35 -53.87 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.5 t -52.47 -44.87 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -54.25 -49.29 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 19.3 tp -57.18 -54.92 41.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -56.06 17.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 505' ' ' VAL . 62.6 m -58.18 -24.53 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -85.01 -23.34 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -69.88 -11.22 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 502' ' ' THR . 96.3 t -51.42 -55.14 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.6 pt -54.23 -30.01 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.977 0.418 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 134.84 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.93 112.11 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -101.41 39.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -128.31 -41.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -110.98 -29.0 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.09 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 175.89 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.11 125.67 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -134.61 158.91 42.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.09 -29.08 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -92.65 138.75 31.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -64.0 -42.47 97.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.0 m -60.46 -30.61 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -66.67 -43.76 83.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.83 -57.79 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 10.3 p -52.36 -42.24 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 505' ' ' VAL . 56.3 m -73.21 -22.5 60.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.08 -23.99 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -70.33 -10.91 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 502' ' ' THR . 84.0 t -51.5 -53.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 pt -57.29 -29.31 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.995 0.426 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -114.52 127.32 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.87 119.17 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -109.3 29.28 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -117.78 -38.35 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.47 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.86 82.67 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -152.86 -179.1 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.12 125.41 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.09 170.18 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -108.29 -30.32 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.44 169.8 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -87.29 -37.62 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 -36.98 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.58 -37.48 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.1 tp -70.19 -57.93 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 82.0 p -51.8 -51.58 55.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 505' ' ' VAL . 89.9 m -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -85.72 -24.73 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.63 -9.78 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 502' ' ' THR . 97.7 t -51.51 -41.87 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.0 pt -68.69 -29.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.91 0.386 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -130.88 125.48 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.72 114.08 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.12 26.16 7.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -110.17 -42.44 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.29 -29.4 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.73 81.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -150.86 179.43 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.21 124.21 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.36 169.56 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -107.66 -32.58 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -109.08 155.12 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -70.36 -40.55 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 14.5 m -53.65 -46.13 70.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -53.76 -44.31 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.3 -58.97 6.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 2.3 p -51.8 -47.42 64.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 505' ' ' VAL . 5.9 m -66.12 -24.64 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -84.55 -23.95 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.21 -11.83 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 502' ' ' THR . 95.7 t -51.36 -58.81 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.5 pt -51.66 -30.12 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.931 0.396 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -147.2 119.46 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 15.5 t -52.78 124.62 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -103.32 35.44 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -127.44 -41.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.81 -28.83 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 100.3 71.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -136.59 172.87 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -134.36 123.75 24.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.79 134.31 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -78.13 -33.53 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -100.01 148.06 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -76.02 -36.75 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 m -60.65 -26.75 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.04 -35.2 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.74 -56.37 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -31.1 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 505' ' ' VAL . 31.1 m -83.24 -25.11 31.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -84.56 -23.28 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.87 -12.11 61.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 502' ' ' THR . 96.9 t -51.33 -59.89 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.63 -30.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.921 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.893 0.377 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -118.51 125.76 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 6.8 t -62.81 126.97 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -111.26 27.18 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.09 -41.54 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.2 p -112.68 -34.0 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.48 74.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -144.37 -179.33 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.14 125.12 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.77 167.98 10.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -105.46 -30.96 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -113.12 158.37 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -75.36 -36.45 60.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 3.0 m -55.15 -34.27 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.03 -40.63 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.75 -57.2 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 24.3 p -56.59 -44.26 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 505' ' ' VAL . 85.2 m -68.34 -24.42 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -85.34 -23.44 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -70.59 -10.57 59.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 502' ' ' THR . 98.5 t -51.49 -49.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.1 pt -62.61 -29.94 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.93 0.395 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -137.75 107.86 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.2 t -59.03 109.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -100.69 32.52 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.76 -37.11 3.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.7 -30.57 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.48 69.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -144.03 179.39 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.91 124.03 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -117.68 171.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -111.48 -30.44 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -103.33 167.23 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -86.29 -45.38 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 18.0 m -54.94 -30.77 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -69.19 -40.23 78.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.61 -55.25 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -43.04 72.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 505' ' ' VAL . 92.9 m -69.66 -24.5 63.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -84.91 -24.96 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -71.76 -9.65 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 502' ' ' THR . 84.8 t -51.55 -39.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 21.8 pt -70.72 -29.81 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.865 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . 0.578 ' HB3' HD22 ' A' ' 500' ' ' LEU . 27.6 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.921 0.391 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -119.44 135.0 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 31.1 t -86.64 109.8 19.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -93.92 41.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -127.08 -45.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.6 p -111.36 -29.82 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.06 55.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -130.25 -179.71 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -157.1 122.88 4.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -112.92 172.62 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -112.25 -30.01 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.86 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -73.27 -35.04 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.2 m -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -61.45 -45.97 92.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 485' ' ' TYR . 28.4 tp -59.08 -51.5 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -28.33 63.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 505' ' ' VAL . 24.0 m -84.08 -24.99 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -84.0 -22.72 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.07 -12.73 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 502' ' ' THR . 99.1 t -51.3 -61.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.8 -29.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -135.82 124.01 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.56 108.89 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -98.88 31.66 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -118.59 -35.85 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 22.8 p -117.96 -31.19 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.67 72.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -147.7 179.73 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.09 125.02 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -117.08 172.76 7.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -28.0 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.6 170.13 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -87.51 -48.24 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.8 p -52.42 -40.53 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.7 -53.2 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.06 -56.93 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -53.24 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 505' ' ' VAL . 72.2 m -61.02 -24.83 66.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -84.47 -23.69 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.92 -12.03 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 502' ' ' THR . 96.5 t -51.42 -59.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.59 -30.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' TYR . . . . . 0.412 ' HB3' HD22 ' A' ' 500' ' ' LEU . 90.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -144.99 137.29 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.09 113.98 14.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -96.31 35.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -126.04 -42.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.25 -27.44 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 102.37 75.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -146.37 174.91 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.57 123.17 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.17 176.64 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.21 -45.6 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -94.77 152.81 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -71.96 -42.21 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.0 t -54.86 -29.99 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -69.57 -49.69 51.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 485' ' ' TYR . 19.0 tp -57.16 -47.89 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 40.7 p -60.25 -41.43 93.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 55.0 m -69.35 -25.63 64.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -87.02 -22.58 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.78 -12.95 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 82.7 t -51.29 -61.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.75 -29.82 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 14.4 p -114.73 167.57 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 20.0 p -174.86 135.85 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 129.53 109.55 1.39 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.1 t -154.66 122.11 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 9.7 m -92.99 128.0 38.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -97.49 100.87 2.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 34.2 p -103.49 155.36 18.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 0.0 111.167 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -105.39 65.92 0.28 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -80.91 -26.67 36.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.54 70.93 4.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.538 0.685 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.09 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -101.32 124.16 46.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 16.6 ttmm -142.77 107.17 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 16.5 t -58.41 111.7 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.34 42.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -127.35 -40.62 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.8 p -117.15 -29.25 5.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.45 63.83 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -133.15 178.48 6.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.337 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.52 124.77 6.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -114.29 -174.55 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.34 -51.41 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -93.99 171.03 9.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -81.42 -44.06 18.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.9 t -52.27 -36.93 54.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -65.66 -40.52 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 13.5 tp -65.03 -55.69 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 36.5 p -52.04 -46.28 64.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 60.5 m -61.1 -25.15 66.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -89.97 -22.39 21.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.27 -13.33 61.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 508' ' ' THR . 91.4 t -51.2 -62.7 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.66 -30.03 10.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -93.68 41.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -81.28 127.49 32.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -71.31 -163.28 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.443 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -113.26 98.49 7.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? 55.01 72.3 1.1 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.547 0.689 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.14 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 1.9 m -61.36 120.75 11.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 99.64 -179.44 30.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.55 2.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.386 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 26.5 t -63.08 -34.07 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t 60.36 27.97 17.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.492 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.1 m -129.19 150.89 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 11.9 p -145.77 143.78 29.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 55.33 82.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 23.0 t -71.15 87.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.818 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.8 t -81.87 72.41 8.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -91.69 -53.91 2.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 7.5 t -58.67 129.3 41.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.111 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 136.7 95.97 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.498 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -99.2 154.87 17.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.925 0.393 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.95 71.92 0.74 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -17.28 37.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.238 . . . . 0.0 112.335 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -106.48 117.38 33.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -143.72 117.07 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 47.0 t -55.41 121.0 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -102.83 37.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -122.87 -46.73 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.8 p -113.66 -29.15 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.37 76.38 0.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -137.99 -179.4 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.819 0.343 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -151.6 121.83 7.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -118.26 174.1 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -113.35 -40.64 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.82 139.7 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -61.96 -35.14 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 74.0 m -58.15 -27.27 63.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -78.53 -43.14 27.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.38 -46.97 88.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.4 p -59.43 -40.27 86.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 89.3 m -69.63 -26.02 64.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -86.33 -22.38 26.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -67.5 -13.17 61.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 508' ' ' THR . 84.9 t -51.23 -62.46 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.67 -30.01 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -93.77 41.49 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -80.55 -49.32 11.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -103.77 63.19 0.39 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.72 142.76 57.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -157.13 73.04 4.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 154.8 67.53 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.746 2.297 . . . . 0.0 112.354 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 26.6 t -149.64 129.6 13.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 163.55 177.83 36.73 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.08 33.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 16.8 m -64.33 102.49 0.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 68.9 m -90.65 166.12 13.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.451 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.5 t -125.28 103.38 7.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 29.2 m -84.51 74.24 10.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -108.67 165.69 12.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.9 t -84.34 105.7 15.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.91 0.385 . . . . 0.0 110.84 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 12.8 m -113.66 96.99 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -144.9 -75.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.3 t -168.46 146.28 4.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 111.168 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 162.1 84.88 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 22.7 tp10 -110.64 91.5 3.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -151.62 72.09 8.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.708 . . . . 0.0 110.899 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -23.14 31.03 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.713 2.276 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -92.04 87.73 6.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -122.76 136.79 54.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.2 t -70.65 115.9 10.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -100.93 35.58 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -121.81 -43.83 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.02 -29.35 7.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 110.0 78.59 1.01 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -143.81 177.42 8.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.71 125.04 10.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -123.99 165.78 16.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -108.62 -36.2 6.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.17 129.68 53.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -54.52 -27.83 40.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.53 -28.85 69.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -78.71 -31.41 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.533 HD11 HE21 ' A' ' 504' ' ' GLN . 21.6 tp -67.37 -48.71 66.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 5.2 p -58.7 -50.45 73.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 3.1 m -57.09 -27.16 61.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -88.84 -22.71 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.533 HE21 HD11 ' A' ' 500' ' ' LEU . 21.4 mm-40 -68.08 -12.72 61.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 79.1 t -51.28 -61.51 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.0 pt -51.69 -29.89 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -93.73 41.56 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 5.8 t -89.82 139.45 30.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -174.4 -88.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -127.05 166.49 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.52 72.91 81.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.581 0.705 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 87.02 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 54.6 p -99.15 115.07 28.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 132.94 175.27 13.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 134.15 27.21 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.6 t -62.12 -176.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.806 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 22.4 p -103.69 46.92 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.451 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 10.4 m -96.81 125.42 41.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 1.3 m -132.89 143.71 49.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -74.59 -164.49 11.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 9.7 p -116.71 162.97 16.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 28.6 p -98.46 134.72 41.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -166.12 62.8 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.9 t -105.75 -31.52 8.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.862 0.363 . . . . 0.0 111.105 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 153.32 171.3 20.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -104.83 111.21 23.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? -168.79 69.16 0.73 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.584 0.707 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.5 36.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . 0.536 ' HB3' HD22 ' A' ' 500' ' ' LEU . 60.4 m-85 -104.7 104.07 13.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -129.99 129.18 43.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 10.4 t -70.97 111.11 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -96.56 28.68 3.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -111.28 -42.75 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.9 p -112.73 -29.57 7.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.75 65.86 0.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -136.18 176.86 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 124.5 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.41 161.29 20.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -98.31 -31.21 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.99 161.6 14.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -84.18 -41.01 17.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.803 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 87.7 p -56.32 -27.38 55.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -77.33 -35.0 55.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 485' ' ' TYR . 16.3 tp -68.11 -54.55 17.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 32.5 p -52.6 -42.03 64.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 505' ' ' VAL . 20.7 m -68.31 -24.98 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -84.89 -22.78 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -68.13 -12.69 61.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 508' ' ' THR . 94.1 t -51.23 -61.34 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.1 pt -51.74 -29.96 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -93.65 41.57 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -80.88 168.26 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -81.98 95.6 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -98.65 -34.02 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.904 0.383 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -133.91 68.59 75.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 118.6 5.78 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.732 2.288 . . . . 0.0 112.274 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 24.8 p -87.06 172.09 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -79.49 -174.2 45.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.24 39.96 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.3 t -109.22 127.58 54.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.8 t 55.48 27.91 10.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.492 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 63.4 p -115.73 84.85 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 9.9 p -147.92 174.2 12.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -105.24 68.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 57.8 m -87.25 -42.06 13.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.1 m -106.79 131.44 53.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -148.64 153.05 24.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.534 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 58.6 p -123.54 117.65 25.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.339 . . . . 0.0 111.155 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -104.37 92.38 0.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -76.81 -27.33 55.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.35 70.07 62.25 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.585 0.707 . . . . 0.0 110.913 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -20.92 34.41 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.746 2.298 . . . . 0.0 112.364 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -99.16 117.51 33.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -141.3 114.75 8.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 34.4 t -58.73 115.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -98.52 43.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -130.09 -48.23 1.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 30.2 p -109.92 -29.18 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.33 71.62 0.79 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -137.12 178.53 7.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.24 125.79 10.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -120.19 161.69 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -96.14 -41.67 8.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -98.09 174.74 6.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -91.45 -42.27 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 9.2 t -53.2 -33.51 53.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -70.06 -37.66 75.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.66 -56.07 9.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 3.3 p -51.92 -43.15 63.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 505' ' ' VAL . 30.2 m -68.79 -25.36 64.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -84.35 -22.95 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -68.27 -12.5 61.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 502' ' ' THR . 97.8 t -51.31 -60.99 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.74 -29.88 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -94.14 40.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 9.9 t -89.95 -33.75 16.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -93.1 85.51 1.13 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -89.4 108.1 19.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 38.2 tttm 58.85 71.79 0.92 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.62 40.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.91 145.02 31.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.848 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 158.33 -75.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 130.83 19.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 15.2 p -159.0 149.3 19.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.1 t 56.91 31.86 20.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.461 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 4.7 m -158.03 169.25 24.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.382 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.5 t -122.49 172.12 8.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -159.17 -167.18 19.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 34.5 p -103.39 117.45 34.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 69.8 m -89.28 54.31 2.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 89.24 -119.95 5.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.5 p -138.32 148.62 44.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -162.06 -92.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -94.75 -26.83 16.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -127.78 71.36 78.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -18.43 37.15 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -98.69 123.04 42.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.9 129.42 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 17.1 t -70.45 115.0 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -96.54 33.82 1.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -122.19 -44.49 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.3 p -114.42 -27.12 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 103.7 75.2 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -141.24 174.81 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.32 125.67 12.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.038 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -117.91 -177.24 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -118.18 -47.6 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -90.28 150.41 21.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -68.09 -43.02 79.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 16.6 p -56.37 -39.48 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.65 -51.19 70.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.83 -53.01 60.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -50.74 65.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 5.1 m -58.63 -25.98 63.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -87.66 -22.95 24.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -68.29 -12.57 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.22 -61.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.66 -30.04 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -94.96 37.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 11.5 t -89.78 152.78 21.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -155.32 133.68 3.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -113.46 27.73 9.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -139.36 71.66 38.77 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.623 0.725 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.71 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 25.3 p -69.2 125.7 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -90.81 166.02 31.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.435 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 138.04 36.62 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.262 . . . . 0.0 112.326 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.1 t -61.34 128.12 34.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -56.65 159.39 3.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 8.6 p -116.7 -30.97 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 15.1 t -174.13 150.52 1.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.849 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -110.74 37.58 3.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 24.0 m -120.17 48.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.378 . . . . 0.0 110.871 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.6 t -83.08 127.82 33.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.811 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -102.13 166.5 17.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 1.6 p -74.76 74.83 2.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -153.71 124.78 1.63 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -80.28 152.55 28.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.956 0.408 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -173.3 72.13 0.38 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -16.92 37.94 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -106.4 135.51 47.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 125.77 11.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.7 t -67.23 119.41 12.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -101.66 28.02 5.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -115.92 -46.22 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -114.89 -28.14 7.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 106.2 84.12 1.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -149.29 178.72 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -145.44 124.5 12.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -119.71 168.34 11.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 68.5 ttt-85 -105.21 -40.95 5.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.12 157.71 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -70.89 -39.89 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 42.7 t -52.79 -41.9 64.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -58.83 -41.73 87.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.58 -58.44 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.23 -33.74 54.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 505' ' ' VAL . 37.0 m -80.84 -24.65 38.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -84.58 -24.14 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -69.42 -11.65 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 502' ' ' THR . 97.9 t -51.43 -58.34 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.67 -30.2 11.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -79.86 -34.05 39.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 75.7 p -83.25 162.71 21.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.159 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 135.07 -21.13 3.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -69.22 -27.91 65.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 22.6 mttm 56.0 73.46 0.83 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -21.69 33.38 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 2.1 p -89.53 122.67 32.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.39 72.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -27.34 26.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.254 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 29.7 t -118.49 143.45 46.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 38.2 m -83.52 -32.76 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.443 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 13.7 t -72.05 105.5 3.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.799 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 22.2 p -75.51 118.48 18.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 168.75 64.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 12.6 p -132.01 85.76 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 11.5 t -134.01 64.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -162.14 95.95 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 1.4 p -126.35 151.36 47.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -133.85 43.49 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.39 120.52 9.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -127.87 69.52 76.73 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.591 0.71 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -18.8 36.88 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.703 2.269 . . . . 0.0 112.344 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -100.28 125.38 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -137.85 111.07 7.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.38 114.25 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -98.38 28.64 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -113.31 -43.43 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.69 -30.59 6.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.95 63.55 0.57 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -136.52 -178.48 5.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -153.13 118.9 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -106.2 171.0 7.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -108.92 -29.75 8.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -102.89 169.71 8.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -90.53 -36.56 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.4 m -64.88 -28.03 69.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -69.64 -38.1 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.33 -56.9 6.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.57 -37.38 62.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 505' ' ' VAL . 87.0 m -77.94 -24.0 48.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.5 -23.84 29.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -69.43 -11.72 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 502' ' ' THR . 96.2 t -51.41 -57.95 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.2 pt -52.74 -30.12 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -79.95 -31.23 39.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 81.3 p -86.68 127.99 34.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 102.76 28.72 6.15 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -106.46 -50.33 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -116.14 72.73 4.81 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.48 66.99 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.686 2.257 . . . . 0.0 112.376 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 58.2 p -98.07 97.77 9.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 141.55 -71.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 168.82 20.46 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 10.3 p -106.39 -52.65 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.4 m 54.72 52.73 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.082 -0.843 . . . . 0.0 112.458 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.3 t -127.68 69.77 1.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 10.5 p -82.47 159.51 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -154.29 -157.84 8.36 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 53.3 p -124.91 135.77 53.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 43.0 t -152.33 129.03 10.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -137.07 76.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 85.2 m -66.84 140.72 57.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.109 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 85.11 123.48 1.22 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -82.74 119.72 24.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -126.78 71.64 74.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.611 0.719 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -24.14 30.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -98.35 86.44 3.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 43.7 pttt -118.11 123.14 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.899 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 8.5 t -64.55 114.27 4.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -95.97 34.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -123.89 -37.62 2.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 25.3 p -117.15 -29.67 5.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 104.56 73.27 0.91 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -141.01 -179.78 6.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -152.95 120.69 6.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.06 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -113.46 175.63 5.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -112.06 -45.93 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . 0.447 ' HB3' ' ND2' ' A' ' 499' ' ' ASN . . . -91.02 154.62 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -71.97 -48.01 48.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.6 t -52.59 -30.15 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 496' ' ' ALA . 74.6 m-20 -66.45 -49.04 68.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.0 tp -58.62 -53.28 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -54.82 28.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 505' ' ' VAL . 87.6 m -57.31 -25.22 58.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -86.37 -22.99 26.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -69.43 -11.59 60.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 502' ' ' THR . 91.0 t -51.26 -56.81 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.07 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.404 HD11 ' NE2' ' A' ' 507' ' ' HIS . 23.9 pt -55.52 -29.41 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . 0.404 ' NE2' HD11 ' A' ' 506' ' ' ILE . 75.9 m-70 -97.32 25.76 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 95.8 m -89.98 -43.82 10.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -88.09 115.17 4.32 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.446 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.12 139.01 48.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -137.39 70.56 53.84 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.574 0.702 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -19.95 35.12 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.721 2.281 . . . . 0.0 112.297 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 22.8 t -71.2 83.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -107.94 173.31 18.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 133.81 26.54 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.0 m -152.07 158.02 42.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.797 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 74.8 m -82.35 -26.54 32.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.487 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 3.2 t -144.63 108.52 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.857 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 17.2 p -102.41 161.09 13.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -171.78 40.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 4.8 t -173.91 159.51 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.382 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.0 t -119.18 87.62 2.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 111.07 165.92 18.68 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 2.8 m -72.14 114.06 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 111.091 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -85.34 136.08 14.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.76 44.22 1.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.948 0.404 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -124.55 71.56 58.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.584 0.707 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -20.82 34.2 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.278 . . . . 0.0 112.322 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . 0.466 ' HB3' HD22 ' A' ' 500' ' ' LEU . 38.2 m-85 -108.12 106.83 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.95 121.64 21.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 11.0 t -63.44 113.39 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.47 28.05 3.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -113.28 -44.96 3.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 29.4 p -112.45 -30.24 7.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 107.67 74.42 0.86 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -144.6 169.95 17.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -141.18 124.82 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -121.19 155.91 33.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 39.3 mtt85 -96.07 -30.82 13.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -104.74 139.17 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -67.26 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 23.5 m -56.82 -32.81 66.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.29 -40.96 61.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 485' ' ' TYR . 14.4 tp -60.55 -57.67 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 39.8 p -51.93 -49.67 62.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 505' ' ' VAL . 25.7 m -62.97 -25.03 68.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -85.69 -22.39 27.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -69.02 -11.88 61.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 508' ' ' THR . 93.9 t -51.26 -58.97 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.4 pt -51.62 -30.1 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -93.72 41.64 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -79.64 90.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 95.91 122.95 4.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.16 129.52 56.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.965 0.412 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -157.97 69.73 4.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 159.51 53.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 56.9 m -67.46 167.99 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 165.97 177.74 38.33 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -41.03 4.61 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.3 t 54.94 38.57 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.1 t -94.74 111.02 22.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.172 -0.793 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 9.4 t -72.47 114.57 10.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.933 0.397 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 26.8 p -56.41 169.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 98.66 119.77 4.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 91.1 p -158.81 120.44 3.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 41.2 p -110.39 134.27 52.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -158.22 30.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.7 t -116.06 137.57 52.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -95.86 -73.43 1.17 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.27 33.13 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -135.76 69.23 65.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.44 36.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -104.19 93.98 5.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -119.07 103.39 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 t -60.34 110.25 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -97.25 26.21 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -110.3 -35.66 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 11.1 p -119.63 -34.24 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.97 45.28 0.83 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -118.99 174.66 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.32 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -144.05 125.68 15.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -121.95 157.8 30.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -111.84 26.26 10.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -150.02 154.61 38.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -78.35 -53.87 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.5 t -52.47 -44.87 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -54.25 -49.29 69.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 19.3 tp -57.18 -54.92 41.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.49 -56.06 17.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 505' ' ' VAL . 62.6 m -58.18 -24.53 59.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -85.01 -23.34 28.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.428 ' O ' HG23 ' A' ' 508' ' ' THR . 73.9 mt-30 -69.88 -11.22 60.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 502' ' ' THR . 96.3 t -51.42 -55.14 9.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.6 pt -54.23 -30.01 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -82.73 -25.69 32.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 504' ' ' GLN . 81.2 p -89.87 174.51 7.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -175.7 160.36 28.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -102.08 -58.28 1.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 0.0 110.896 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -129.86 71.28 82.19 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.618 0.723 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 86.08 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 6.9 t -158.62 134.6 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -129.61 74.19 0.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -172.49 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 23.2 p -123.33 -47.66 1.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.2 t -69.65 -54.1 15.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.498 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 52.5 p -98.17 164.38 12.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 73.2 m -84.56 -31.02 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 159.21 -61.73 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.484 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 5.2 p -92.31 161.18 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 51.7 p -122.04 -34.79 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 130.76 105.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 47.6 p -119.68 117.97 29.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -133.19 -129.1 2.94 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -95.02 -27.49 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.28 72.84 72.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -17.08 37.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.64 2.227 . . . . 0.0 112.385 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -102.66 50.97 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 134.84 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 4.5 t -76.93 112.11 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -101.41 39.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -128.31 -41.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -110.98 -29.0 8.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.09 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.15 175.89 5.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.11 125.67 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -134.61 158.91 42.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.09 -29.08 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -92.65 138.75 31.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -64.0 -42.47 97.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 5.0 m -60.46 -30.61 69.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -66.67 -43.76 83.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 26.5 tp -62.83 -57.79 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 10.3 p -52.36 -42.24 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 505' ' ' VAL . 56.3 m -73.21 -22.5 60.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -84.08 -23.99 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.406 ' O ' HG22 ' A' ' 508' ' ' THR . 24.2 mt-30 -70.33 -10.91 60.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 502' ' ' THR . 84.0 t -51.5 -53.3 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.9 pt -57.29 -29.31 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -78.95 -68.8 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 504' ' ' GLN . 9.7 t -51.73 -29.83 20.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -80.83 62.12 4.44 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -131.83 30.7 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -163.73 69.88 1.73 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.661 2.241 . . . . 0.0 112.271 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.52 99.59 12.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 69.95 166.26 5.5 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 139.05 39.32 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.8 p -147.4 138.41 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.2 t -126.45 79.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.465 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 45.1 m -119.89 -44.19 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 2.4 t -121.45 115.52 23.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -154.03 151.34 23.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.458 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 1.3 p -52.09 124.2 12.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 53.4 p -69.16 -177.55 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 101.65 27.57 7.07 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 11.6 m -113.83 69.41 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 111.162 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -170.1 -155.66 10.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -116.15 38.59 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -141.44 68.55 26.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -19.06 36.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -95.95 75.85 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -114.52 127.32 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.6 t -64.87 119.17 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -109.3 29.28 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -117.78 -38.35 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.3 p -116.47 -30.42 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.86 82.67 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -152.86 -179.1 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.12 125.41 6.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -125.09 170.18 11.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -108.29 -30.32 8.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -105.44 169.8 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -87.29 -37.62 17.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 4.3 t -57.56 -36.98 72.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.58 -37.48 86.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.1 tp -70.19 -57.93 4.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 82.0 p -51.8 -51.58 55.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 505' ' ' VAL . 89.9 m -61.28 -24.33 66.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -85.72 -24.73 26.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.63 -9.78 58.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 502' ' ' THR . 97.7 t -51.51 -41.87 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.0 pt -68.69 -29.91 45.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -80.74 -70.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 8.8 t -82.04 160.87 23.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 99.38 -66.04 0.64 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -80.76 152.14 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.911 0.386 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm 59.56 71.77 0.87 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.578 0.704 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 106.71 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.703 2.269 . . . . 0.0 112.411 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 30.3 p -105.32 138.88 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -175.48 71.83 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -29.99 22.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.7 m -117.56 132.17 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.4 m -107.88 -59.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.461 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 27.7 p -88.15 101.13 13.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.1 t -70.47 136.7 49.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.851 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 159.67 55.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.44 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 2.4 t -105.45 156.85 17.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 15.6 t -137.18 176.43 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -170.27 126.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 9.8 m -125.52 125.98 44.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -175.25 -130.88 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.413 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -111.13 63.57 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.937 0.398 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -156.83 70.89 4.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -20.91 34.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.691 2.26 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -102.08 113.68 27.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 9.2 pttp -130.88 125.48 33.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 7.9 t -67.72 114.08 6.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -102.12 26.16 7.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -110.17 -42.44 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 28.1 p -117.29 -29.4 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.73 81.91 1.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -150.86 179.43 8.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -149.21 124.21 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -117.36 169.56 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.3 ptp85 -107.66 -32.58 7.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -109.08 155.12 21.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -70.36 -40.55 73.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 14.5 m -53.65 -46.13 70.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -53.76 -44.31 69.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.3 -58.97 6.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 2.3 p -51.8 -47.42 64.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 505' ' ' VAL . 5.9 m -66.12 -24.64 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -84.55 -23.95 29.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -69.21 -11.83 61.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 502' ' ' THR . 95.7 t -51.36 -58.81 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.5 pt -51.66 -30.12 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -79.42 -34.42 41.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 80.4 p -81.59 123.47 28.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 144.26 -21.17 2.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -106.76 -74.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.922 0.391 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -61.76 160.67 25.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 116.6 4.64 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 48.9 m -116.81 153.5 32.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -135.17 -174.09 13.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -44.46 2.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 1.1 m -65.66 128.36 35.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 15.9 m 53.36 44.59 29.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.493 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 10.4 p -96.75 175.61 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 40.8 p -99.01 85.07 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -99.11 95.97 1.63 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 54.5 m -68.88 -46.66 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.832 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 3.6 t -100.72 176.39 5.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -149.29 -102.35 0.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 15.2 t -146.25 160.44 41.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -171.09 -167.2 31.06 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -118.31 88.98 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -154.86 72.76 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.558 0.694 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -22.86 31.52 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -97.22 128.5 44.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -147.2 119.46 8.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 15.5 t -52.78 124.62 14.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -103.32 35.44 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -127.44 -41.27 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 31.8 p -114.81 -28.83 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 100.3 71.65 0.97 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 40.8 mttm -136.59 172.87 12.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -134.36 123.75 24.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.109 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -120.79 134.31 55.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -78.13 -33.53 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -100.01 148.06 24.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -76.02 -36.75 59.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 59.2 m -60.65 -26.75 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -73.04 -35.2 66.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 29.7 tp -65.74 -56.37 12.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.78 -31.1 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 505' ' ' VAL . 31.1 m -83.24 -25.11 31.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -84.56 -23.28 29.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -68.87 -12.11 61.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.471 ' O ' HG23 ' A' ' 508' ' ' THR . 96.9 t -51.33 -59.89 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.63 -30.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 -93.63 41.81 1.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -81.96 -52.91 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.171 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -61.41 -30.02 73.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -58.44 118.01 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.48 160.2 26.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.575 0.703 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.61 45.26 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.395 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.7 t -101.72 -30.58 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 151.43 68.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -22.43 32.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.384 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 1.4 m 59.14 35.59 23.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 59.5 m -69.43 -175.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.186 -0.785 . . . . 0.0 112.459 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 54.14 36.29 24.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.872 0.368 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 47.6 m -106.18 -39.5 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 80.77 178.75 52.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.465 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 3.8 m -122.97 132.18 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 32.5 t -87.82 135.81 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.918 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 110.75 93.88 2.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 3.0 m 63.24 40.33 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 111.155 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -96.76 67.41 0.92 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.68 152.92 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.888 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -150.17 69.38 8.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.611 0.72 . . . . 0.0 110.918 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 -17.75 37.81 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -104.58 87.29 2.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -118.51 125.76 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 6.8 t -62.81 126.97 29.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -111.26 27.18 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -113.09 -41.54 3.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 16.2 p -112.68 -34.0 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 111.48 74.59 0.74 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -144.37 -179.33 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.818 0.342 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -148.14 125.12 11.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.77 167.98 10.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -105.46 -30.96 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -113.12 158.37 20.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -75.36 -36.45 60.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 3.0 m -55.15 -34.27 63.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -70.03 -40.63 75.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.2 tp -62.75 -57.2 11.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 24.3 p -56.59 -44.26 80.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 505' ' ' VAL . 85.2 m -68.34 -24.42 64.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -85.34 -23.44 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 508' ' ' THR . 43.7 mt-30 -70.59 -10.57 59.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 502' ' ' THR . 98.5 t -51.49 -49.55 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 22.1 pt -62.61 -29.94 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.161 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -78.93 -74.67 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 504' ' ' GLN . 15.2 t -52.53 -28.94 22.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -80.63 -148.71 5.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.92 125.08 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -66.82 160.64 67.7 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.564 0.697 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -41.74 3.98 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 4.2 p -172.24 113.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 60.72 -178.96 3.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 118.26 5.57 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.0 t -60.77 -37.46 81.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.5 t 62.01 34.91 16.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.472 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 2.5 t -120.94 109.07 14.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.891 0.376 . . . . 0.0 110.868 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.9 p -169.96 134.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . 107.45 42.17 1.52 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 13.1 t -100.96 123.06 44.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 9.6 t -132.51 156.02 47.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 149.87 141.04 3.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 44.1 p -86.24 73.19 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.068 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 59.43 -131.64 51.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -82.42 130.63 35.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -127.79 73.25 78.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -16.92 37.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -112.57 105.06 13.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -137.75 107.86 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.2 t -59.03 109.22 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 61.7 m-20 -100.69 32.52 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.76 -37.11 3.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.7 -30.57 5.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.48 69.99 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -144.03 179.39 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.34 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -154.91 124.03 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -117.68 171.95 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 23.7 tpt85 -111.48 -30.44 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -103.33 167.23 9.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 16.0 t-160 -86.29 -45.38 11.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 18.0 m -54.94 -30.77 59.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -69.19 -40.23 78.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.8 tp -65.61 -55.25 18.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.91 -43.04 72.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.164 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 505' ' ' VAL . 92.9 m -69.66 -24.5 63.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -84.91 -24.96 28.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.567 ' O ' HG23 ' A' ' 508' ' ' THR . 16.0 mm-40 -71.76 -9.65 58.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 502' ' ' THR . 84.8 t -51.55 -39.79 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 21.8 pt -70.72 -29.81 39.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -81.23 -25.31 36.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 504' ' ' GLN . 58.5 p -76.51 141.5 41.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 155.71 66.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -110.67 120.09 41.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.896 0.379 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -108.48 160.67 26.28 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.711 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 117.16 4.92 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 18.2 t -111.27 88.0 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -133.64 175.71 20.1 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 159.97 51.44 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 75.1 p -100.59 128.11 46.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.19 169.45 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.486 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 1.4 m -84.96 163.78 18.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.89 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.2 m -71.79 147.52 47.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.83 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -81.71 -83.67 0.8 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.44 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 58.6 m -118.54 116.24 26.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.838 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 28.8 t -103.0 -46.85 4.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 129.56 174.22 13.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 15.0 t -112.35 166.1 11.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.333 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -164.47 35.24 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -70.78 150.73 45.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -103.29 159.27 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.646 0.736 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -20.06 35.24 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.32 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . 0.578 ' HB3' HD22 ' A' ' 500' ' ' LEU . 27.6 m-85 -107.7 92.98 4.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -119.44 135.0 54.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 31.1 t -86.64 109.8 19.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -93.92 41.49 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -127.08 -45.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 27.6 p -111.36 -29.82 7.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 108.06 55.97 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -130.25 -179.71 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -157.1 122.88 4.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.056 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -112.92 172.62 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -112.25 -30.01 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.86 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -73.27 -35.04 66.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 1.2 m -64.63 -41.9 95.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -61.45 -45.97 92.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 485' ' ' TYR . 28.4 tp -59.08 -51.5 69.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.45 -28.33 63.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 505' ' ' VAL . 24.0 m -84.08 -24.99 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -84.0 -22.72 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -68.07 -12.73 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 502' ' ' THR . 99.1 t -51.3 -61.41 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.8 -29.87 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -93.78 41.55 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 6.0 t -89.68 -31.44 17.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -107.63 123.71 7.29 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -151.75 134.51 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -159.81 70.51 3.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 161.3 46.45 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.636 2.224 . . . . 0.0 112.389 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 72.8 m -87.9 155.92 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -73.23 -71.75 1.06 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -179.71 3.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.272 . . . . 0.0 112.345 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.2 t 56.52 45.02 23.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 20.1 m -126.03 76.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.491 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 3.3 m -96.93 154.34 17.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.865 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 52.6 p -100.44 161.32 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -72.3 99.43 0.88 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 6.2 t -113.46 90.83 3.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.891 0.377 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 8.4 t -120.41 154.63 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . -102.34 -24.91 8.08 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.457 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 13.8 p 49.83 41.56 22.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.155 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 111.65 108.05 2.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -104.64 54.12 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.953 0.406 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -100.93 160.7 25.96 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -17.41 37.45 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.347 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -111.94 102.96 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -135.82 124.01 23.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.7 t -76.56 108.89 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -98.88 31.66 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -118.59 -35.85 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 22.8 p -117.96 -31.19 5.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 109.67 72.04 0.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -147.7 179.73 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.779 0.323 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -156.09 125.02 6.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -117.08 172.76 7.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.41 -28.0 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -101.6 170.13 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.073 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -87.51 -48.24 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 2.8 p -52.42 -40.53 62.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -55.7 -53.2 59.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.06 -56.93 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -53.24 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . 0.441 ' O ' HG23 ' A' ' 505' ' ' VAL . 72.2 m -61.02 -24.83 66.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.8 t60 -84.47 -23.69 29.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . 0.414 ' O ' HG22 ' A' ' 508' ' ' THR . 77.5 mt-30 -68.92 -12.03 61.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 502' ' ' THR . 96.5 t -51.42 -59.49 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.3 pt -51.59 -30.11 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -78.75 -74.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 504' ' ' GLN . 14.9 t -56.41 172.23 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 130.25 35.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.453 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -93.37 -178.62 4.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 68.35 3.25 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.566 0.698 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -174.43 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 60.0 p -130.87 139.1 50.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 130.1 -178.6 17.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 173.49 10.9 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 10.0 p -99.03 77.1 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.4 m -96.0 62.36 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 8.3 t -146.62 154.76 41.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 4.2 t -58.49 103.79 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' GLY . . . . . . . . . . . . . . . -66.01 -165.32 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' SER . . . . . . . . . . . . . 54.3 p -58.04 -28.91 64.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 1.5 m -133.72 157.35 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.824 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' GLY . . . . . . . . . . . . . . . 176.35 139.76 3.29 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.543 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' THR . . . . . . . . . . . . . 37.2 p -110.37 76.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 178.81 93.31 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -86.04 -27.19 24.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -131.56 71.45 81.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -22.71 31.8 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' TYR . . . . . 0.412 ' HB3' HD22 ' A' ' 500' ' ' LEU . 90.3 m-85 -93.88 130.0 40.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -144.99 137.29 25.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 13.5 t -76.09 113.98 14.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -96.31 35.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -126.04 -42.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.25 -27.44 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' GLY . . . . . . . . . . . . . . . 102.37 75.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -146.37 174.91 10.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.778 0.323 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' ALA . . . . . . . . . . . . . . . -147.57 123.17 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.17 176.64 4.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.21 -45.6 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' ALA . . . . . . . . . . . . . . . -94.77 152.81 18.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -71.96 -42.21 66.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' SER . . . . . . . . . . . . . 31.0 t -54.86 -29.99 56.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -69.57 -49.69 51.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' A' ' 485' ' ' TYR . 19.0 tp -57.16 -47.89 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' THR . . . . . . . . . . . . . 40.7 p -60.25 -41.43 93.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 55.0 m -69.35 -25.63 64.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -87.02 -22.58 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -67.78 -12.95 61.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 508' ' ' THR . 82.7 t -51.29 -61.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.9 pt -51.75 -29.82 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 -93.74 41.45 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 505' ' ' VAL . 0.8 OUTLIER -78.32 168.23 20.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 63.21 76.32 0.28 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -94.25 -42.36 8.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -151.15 157.57 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.554 0.692 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 139.18 39.83 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.393 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' SER . . . . . . . . . . . . . 7.5 t -115.0 133.11 56.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -73.69 -71.47 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 135.72 31.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.642 2.228 . . . . 0.0 112.403 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 2.5 m -69.75 -32.38 70.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 3.5 t -115.64 115.18 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.485 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_