data_1kbe_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 1kbe _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 full ' A' A ' 330' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' SER . . . . . . . . . . . . . 1.1 m -152.52 128.74 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.07 31.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' THR . . . . . . . . . . . . . 28.7 p -98.78 117.73 33.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' HIS . . . . . 0.507 ' CD2' ' N ' ' A' ' 334' ' ' HIS . 2.9 m170 -80.04 142.15 35.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -93.99 126.78 39.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' PHE . . . . . 0.496 ' CD1' ' HB ' ' A' ' 357' ' ' VAL . 0.4 OUTLIER -94.07 156.02 16.8 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.28 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 357' ' ' VAL . 0.9 OUTLIER -127.07 167.87 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' THR . . . . . . . . . . . . . 86.9 m -107.09 139.88 40.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.245 0.545 . . . . 0.0 111.503 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -150.41 145.94 26.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.176 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' SER . . . . . . . . . . . . . 69.8 m -158.28 78.34 0.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -57.38 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 1.3 tp 179.64 -54.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' SER . . . . . . . . . . . . . 52.7 m -102.02 30.02 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -96.89 146.04 25.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 55.8 t -127.28 141.49 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' CYS . . . . . 0.432 ' HB2' ' CE1' ' A' ' 367' ' ' HIS . 50.2 t -47.09 139.05 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.174 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -92.16 25.25 2.96 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.238 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' VAL . . . . . . . . . . . . . 5.2 t -130.88 -69.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' CYS . . . . . . . . . . . . . 28.1 p -91.13 -19.29 23.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.129 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 44.69 97.35 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.708 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -149.58 174.1 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . 42.8 t -64.61 97.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.88 178.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' ILE . . . . . . . . . . . . . 3.8 mp -141.18 92.54 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 CA-C-O 123.268 1.509 . . . . 0.0 107.739 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' PHE . . . . . 0.428 ' CB ' ' CD2' ' A' ' 367' ' ' HIS . 4.6 m-85 -137.76 124.23 20.78 Favored 'General case' 0 C--N 1.269 -2.933 0 CA-C-N 111.293 -2.685 . . . . 0.0 110.221 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -147.59 148.03 19.26 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 119.958 -1.115 . . . . 0.0 113.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' VAL . . . . . 0.496 ' HB ' ' CD1' ' A' ' 336' ' ' PHE . 34.0 m -132.55 133.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -103.92 120.02 40.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.964 0.411 . . . . 0.0 111.448 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' CYS . . . . . 0.479 ' HB3' ' CE1' ' A' ' 336' ' ' PHE . 0.1 OUTLIER -102.18 128.73 48.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.616 179.193 110.058 153.427 -120.565 101.641 2.468 166.003 -111.071 -125.739 3 3 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' LYS . . . . . 0.58 ' C ' ' H ' ' A' ' 362' ' ' CYS . 0.0 OUTLIER -82.95 -172.56 4.19 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.274 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 65.72 -32.98 0.17 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.476 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' CYS . . . . . 0.58 ' H ' ' C ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -123.98 -37.16 2.62 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 -179.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 76.81 87.1 0.08 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' LEU . . . . . . . . . . . . . 14.0 tp -139.46 166.35 24.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 357' ' ' VAL . 9.8 ptpt -131.19 132.63 44.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.837 0.351 . . . . 0.0 110.439 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 357' ' ' VAL . 1.5 m -154.7 161.82 41.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.845 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' HIS . . . . . 0.432 ' CE1' ' HB2' ' A' ' 346' ' ' CYS . 0.1 OUTLIER -44.92 174.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -46.97 -29.23 1.95 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.184 0.516 . . . . 0.0 109.93 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.9 -73.6 0.15 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.927 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' CYS . . . . . . . . . . . . . 1.4 m 40.24 31.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.643 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' THR . . . . . . . . . . . . . 1.9 p -58.82 -32.4 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.02 -26.67 68.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -100.27 -55.35 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' ALA . . . . . . . . . . . . . . . -57.8 147.5 62.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -168.34 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.512 2.142 . . . . 0.0 112.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.67 134.87 34.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 103.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.993 -125.739 -111.071 -120.565 166.003 2.468 101.641 153.427 110.058 2 2 . 1 . 001 nuclear orig full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.925 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 330' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 331' ' ' SER . . . . . . . . . . . . . 1.1 m -152.52 128.74 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.07 31.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' THR . . . . . . . . . . . . . 28.7 p -98.78 117.73 33.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' HIS . . . . . 0.507 ' N ' ' CD2' ' A' ' 334' ' ' HIS . 2.9 m170 -80.04 142.15 35.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -93.99 126.78 39.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' PHE . . . . . 0.661 ' CE1' HG23 ' A' ' 357' ' ' VAL . 0.4 OUTLIER -94.07 156.02 16.8 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.28 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 337' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 357' ' ' VAL . 0.9 OUTLIER -127.07 167.87 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 338' ' ' THR . . . . . . . . . . . . . 86.9 m -107.09 139.88 40.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.245 0.545 . . . . 0.0 111.503 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -150.41 145.94 26.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.176 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' SER . . . . . 0.41 ' HA ' HG22 ' A' ' 354' ' ' ILE . 69.8 m -158.28 78.34 0.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -57.38 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 354' ' ' ILE . 1.3 tp 179.64 -54.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' SER . . . . . . . . . . . . . 52.7 m -102.02 30.02 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -96.89 146.04 25.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 350' ' ' GLN . 55.8 t -127.28 141.49 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 367' ' ' HIS . 50.2 t -47.09 139.05 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.174 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ASN . . . . . 0.411 ' HB2' ' HG3' ' A' ' 365' ' ' LYS . 1.7 m120 -92.16 25.25 2.96 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.238 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 374' ' ' ALA . 5.2 t -130.88 -69.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 349' ' ' CYS . . . . . . . . . . . . . 28.1 p -91.13 -19.29 23.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.129 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' GLN . . . . . 0.551 ' HA ' HG12 ' A' ' 345' ' ' VAL . 5.1 pt20 44.69 97.35 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.708 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -149.58 174.1 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . 42.8 t -64.61 97.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.88 178.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 354' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 342' ' ' LEU . 3.8 mp -141.18 92.54 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 CA-C-O 123.268 1.509 . . . . 0.0 107.739 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 355' ' ' PHE . . . . . 0.428 ' CB ' ' CD2' ' A' ' 367' ' ' HIS . 4.6 m-85 -137.76 124.23 20.78 Favored 'General case' 0 C--N 1.269 -2.933 0 CA-C-N 111.293 -2.685 . . . . 0.0 110.221 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -147.59 148.03 19.26 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 119.958 -1.115 . . . . 0.0 113.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 366' ' ' CYS . 34.0 m -132.55 133.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 358' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 336' ' ' PHE . 2.0 ttpt -103.92 120.02 40.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.964 0.411 . . . . 0.0 111.448 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 359' ' ' CYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 336' ' ' PHE . 0.1 OUTLIER -102.18 128.73 48.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.616 179.193 110.058 153.427 -120.565 101.641 2.468 166.003 -111.071 -125.739 3 3 . 1 . 001 nuclear build full ' A' A ' 360' ' ' LYS . . . . . 0.546 ' C ' ' H ' ' A' ' 362' ' ' CYS . 0.0 OUTLIER -82.95 -172.56 4.19 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.274 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 361' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 65.72 -32.98 0.17 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.476 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' CYS . . . . . 0.546 ' H ' ' C ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -123.98 -37.16 2.62 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 -179.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 76.81 87.1 0.08 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' LEU . . . . . . . . . . . . . 14.0 tp -139.46 166.35 24.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 357' ' ' VAL . 9.8 ptpt -131.19 132.63 44.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.837 0.351 . . . . 0.0 110.439 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 366' ' ' CYS . . . . . 0.795 ' O ' HG22 ' A' ' 357' ' ' VAL . 1.5 m -154.7 161.82 41.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.845 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 367' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 346' ' ' CYS . 0.1 OUTLIER -44.92 174.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 368' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -46.97 -29.23 1.95 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.184 0.516 . . . . 0.0 109.93 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.9 -73.6 0.15 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.927 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 370' ' ' CYS . . . . . . . . . . . . . 1.4 m 40.24 31.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.643 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 371' ' ' THR . . . . . . . . . . . . . 1.9 p -58.82 -32.4 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.02 -26.67 68.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -100.27 -55.35 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 348' ' ' VAL . . . -57.8 147.5 62.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 375' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -168.34 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.512 2.142 . . . . 0.0 112.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.67 134.87 34.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 103.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.993 -125.739 -111.071 -120.565 166.003 2.468 101.641 153.427 110.058 2 2 . 1 . 001 nuclear build full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.925 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' SER . . . . . . . . . . . . . 1.1 m -152.52 128.74 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' VAL . . . . . . . . . . . . . 31.3 m -100.07 31.25 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' THR . . . . . . . . . . . . . 28.7 p -98.78 117.73 33.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' HIS . . . . . 0.507 ' N ' ' CD2' ' A' ' 334' ' ' HIS . 2.9 m170 -80.04 142.15 35.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt-85 -93.99 126.78 39.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.005 0.431 . . . . 0.0 110.963 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' PHE . . . . . 0.661 ' CE1' HG23 ' A' ' 357' ' ' VAL . 0.4 OUTLIER -94.07 156.02 16.8 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.28 -179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 357' ' ' VAL . 0.9 OUTLIER -127.07 167.87 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.477 179.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' THR . . . . . . . . . . . . . 86.9 m -107.09 139.88 40.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.245 0.545 . . . . 0.0 111.503 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -150.41 145.94 26.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.176 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' SER . . . . . 0.41 ' HA ' HG22 ' A' ' 354' ' ' ILE . 69.8 m -158.28 78.34 0.81 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.733 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' TRP . . . . . . . . . . . . . 25.0 m-90 -57.38 -82.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 354' ' ' ILE . 1.3 tp 179.64 -54.07 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' SER . . . . . . . . . . . . . 52.7 m -102.02 30.02 4.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -96.89 146.04 25.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 350' ' ' GLN . 55.8 t -127.28 141.49 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 367' ' ' HIS . 50.2 t -47.09 139.05 6.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.174 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ASN . . . . . 0.411 ' HB2' ' HG3' ' A' ' 365' ' ' LYS . 1.7 m120 -92.16 25.25 2.96 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.238 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 374' ' ' ALA . 5.2 t -130.88 -69.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' CYS . . . . . . . . . . . . . 28.1 p -91.13 -19.29 23.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.129 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' GLN . . . . . 0.551 ' HA ' HG12 ' A' ' 345' ' ' VAL . 5.1 pt20 44.69 97.35 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.708 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -149.58 174.1 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' SER . . . . . . . . . . . . . 42.8 t -64.61 97.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.88 178.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 342' ' ' LEU . 3.8 mp -141.18 92.54 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.718 0 CA-C-O 123.268 1.509 . . . . 0.0 107.739 176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' PHE . . . . . 0.428 ' CB ' ' CD2' ' A' ' 367' ' ' HIS . 4.6 m-85 -137.76 124.23 20.78 Favored 'General case' 0 C--N 1.269 -2.933 0 CA-C-N 111.293 -2.685 . . . . 0.0 110.221 178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . -147.59 148.03 19.26 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 119.958 -1.115 . . . . 0.0 113.007 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 366' ' ' CYS . 34.0 m -132.55 133.72 59.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 336' ' ' PHE . 2.0 ttpt -103.92 120.02 40.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.964 0.411 . . . . 0.0 111.448 -178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' CYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 336' ' ' PHE . 0.1 OUTLIER -102.18 128.73 48.55 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.616 179.193 110.058 153.427 -120.565 101.641 2.468 166.003 -111.071 -125.739 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' LYS . . . . . 0.546 ' C ' ' H ' ' A' ' 362' ' ' CYS . 0.0 OUTLIER -82.95 -172.56 4.19 Favored 'General case' 0 N--CA 1.413 -2.315 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 179.274 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 65.72 -32.98 0.17 Allowed 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.692 -1.14 . . . . 0.0 111.476 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' CYS . . . . . 0.546 ' H ' ' C ' ' A' ' 360' ' ' LYS . 0.0 OUTLIER -123.98 -37.16 2.62 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.69 0.281 . . . . 0.0 111.101 -179.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 76.81 87.1 0.08 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' LEU . . . . . . . . . . . . . 14.0 tp -139.46 166.35 24.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 357' ' ' VAL . 9.8 ptpt -131.19 132.63 44.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.837 0.351 . . . . 0.0 110.439 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' CYS . . . . . 0.795 ' O ' HG22 ' A' ' 357' ' ' VAL . 1.5 m -154.7 161.82 41.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.845 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 346' ' ' CYS . 0.1 OUTLIER -44.92 174.34 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.193 179.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -46.97 -29.23 1.95 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.184 0.516 . . . . 0.0 109.93 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.9 -73.6 0.15 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.927 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' CYS . . . . . . . . . . . . . 1.4 m 40.24 31.3 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.643 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' THR . . . . . . . . . . . . . 1.9 p -58.82 -32.4 69.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.051 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -64.02 -26.67 68.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -100.27 -55.35 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' ALA . . . . . 0.406 ' HB2' HG21 ' A' ' 348' ' ' VAL . . . -57.8 147.5 62.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.175 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.96 -168.34 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.512 2.142 . . . . 0.0 112.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' ALA . . . . . . . . . . . . . . . -90.67 134.87 34.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.03 103.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.993 -125.739 -111.071 -120.565 166.003 2.468 101.641 153.427 110.058 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 378' ' ' ARG . . . . . . . . . . . . . 33.2 ttp180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.925 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_