data_1wj2_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 1wj2 _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 ' 412' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -79.81 98.69 7.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.416 ' CH2' ' HD3' ' A' ' 443' ' ' LYS . 63.2 m95 -98.84 147.45 24.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -126.78 140.03 52.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -87.95 126.11 34.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -112.16 -34.63 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -170.48 148.39 11.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.589 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -124.52 163.93 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -130.35 144.74 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.11 151.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 12.6 t -138.3 130.48 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -33.87 76.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -74.94 -13.29 82.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.773 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -115.98 135.12 22.69 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 122.817 -0.225 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.53 -27.1 11.27 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.481 2.121 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -103.3 141.46 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.75 166.67 26.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -105.74 112.97 26.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.1 m -102.52 126.77 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -112.65 135.07 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -129.18 -174.47 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.07 128.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.17 98.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.05 69.25 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.268 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 163.47 18.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.76 91.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.301 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.48 19.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 49.3 t -83.84 125.71 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.73 63.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.424 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 29.8 t -89.74 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.37 123.19 38.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.416 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -118.73 150.36 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -119.19 124.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.27 97.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -118.26 147.87 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.04 121.51 41.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.67 111.52 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.73 -51.48 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -31.33 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.42 158.19 46.29 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.96 65.35 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.488 2.125 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.32 77.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -111.82 114.57 27.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 91.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.7 p -89.65 114.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.4 m -120.95 125.87 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.54 119.01 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.11 100.02 11.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -88.45 100.98 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.39 166.06 14.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -122.9 142.25 51.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -66.64 155.07 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.87 31.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.328 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 110.55 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.451 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 28.0 m95 -108.01 165.22 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.14 144.32 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -73.9 158.87 33.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 53.1 p90 -155.82 -46.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . 0.422 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -129.02 165.46 21.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -159.11 122.11 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.0 149.44 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.14 152.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.04 128.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 133.62 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.14 -54.31 2.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -66.06 119.19 59.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.538 0.208 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.48 -0.21 10.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.495 2.13 . . . . 0.0 112.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -111.7 92.85 18.16 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -50.88 178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.505 2.137 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -115.79 130.92 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 15.5 m -109.5 151.56 26.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.08 120.71 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -118.81 173.45 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.4 ' HD3' ' CD2' ' A' ' 417' ' ' TYR . 10.3 pttm -162.14 131.45 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 111.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.451 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 38.7 t -64.65 101.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.596 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 8.8 t -97.41 77.67 2.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.621 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.433 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.3 OUTLIER -100.21 150.55 37.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 87.6 Cg_exo -47.62 -27.03 7.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.503 2.135 . . . . 0.0 112.437 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -135.19 43.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.256 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 34.7 t -164.8 139.53 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.749 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.25 64.49 0.57 Allowed Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 25.2 t -90.33 141.84 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.731 0.301 . . . . 0.0 111.085 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -123.0 129.78 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -123.52 163.19 21.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.42 153.21 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.11 111.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.55 133.42 54.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -104.02 102.5 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -59.81 119.23 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.76 -23.61 24.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 55.3 p -52.92 -34.12 53.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 160.7 26.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.59 -27.45 25.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.541 2.161 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -176.65 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -107.09 137.59 44.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.77 104.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.09 144.02 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.03 155.94 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.23 154.41 50.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -133.56 117.23 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.86 115.83 25.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.14 150.27 21.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.45 153.19 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.39 136.86 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -104.43 30.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.0 p80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -98.87 116.53 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.438 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 46.2 m95 -110.47 152.75 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 136.48 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -78.76 146.25 33.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 44.6 p90 -130.71 -46.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . 0.427 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.58 151.76 22.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.64 149.17 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -116.34 139.21 50.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.41 143.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.96 111.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.34 79.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.55 -30.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -98.85 139.79 21.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.64 0.257 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.29 -27.98 9.1 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.465 2.11 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -95.08 107.24 30.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.84 152.52 73.77 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.413 2.075 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -78.92 146.63 33.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.2 m -140.16 142.89 35.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -123.12 138.19 54.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.22 173.56 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.86 131.02 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.438 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 8.0 t -65.16 100.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 8.9 t -96.67 66.71 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.422 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.405 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.03 152.91 37.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 74.6 Cg_exo -49.52 100.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.416 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.81 -23.56 34.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 40.5 t -96.82 125.44 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.9 63.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 31.7 t -89.49 147.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 141.43 51.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -137.15 146.35 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -109.05 134.17 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 114.0 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.48 127.42 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 124.39 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -81.82 98.99 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.29 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 73.3 p -56.76 -33.4 66.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.57 158.36 73.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.08 66.63 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.5 2.133 . . . . 0.0 112.263 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt 63.73 81.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -127.5 155.98 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.52 105.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.5 130.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.86 140.61 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -125.71 143.79 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -129.6 115.66 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -117.48 110.3 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 119.92 152.1 8.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -112.26 147.43 36.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -65.9 144.84 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.0 21.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.72 95.52 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 43.4 m95 -90.48 175.54 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.41 134.26 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -74.72 135.77 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.417 ' CD1' ' HG2' ' A' ' 433' ' ' LYS . 10.7 p90 -130.54 -46.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -125.41 147.9 16.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -143.01 146.1 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 156.24 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.7 p -121.82 111.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 28.5 t -88.18 138.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.15 137.52 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 91.14 -48.68 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.28 129.47 77.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.08 -33.94 4.13 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.501 2.134 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -74.42 116.08 49.64 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.92 174.48 7.7 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.404 2.07 . . . . 0.0 112.213 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -114.9 106.85 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.3 m -98.75 137.53 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.18 103.68 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.8 164.57 13.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 417' ' ' TYR . 0.0 OUTLIER -156.62 128.56 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.304 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.424 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 18.3 t -67.05 95.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.5 t -94.23 73.69 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.667 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.417 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.28 167.19 11.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 50.0 Cg_exo -54.08 88.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.355 2.037 . . . . 0.0 112.195 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.3 -24.36 30.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 50.9 t -87.55 138.93 31.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -140.92 55.06 0.62 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.24 150.59 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -129.31 152.78 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.405 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 6.8 pttt -151.63 131.94 13.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -102.22 119.64 39.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.36 97.24 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.61 127.07 55.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -100.72 111.44 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.14 119.35 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -85.47 -26.51 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -37.8 63.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.226 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.03 163.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.77 -34.49 44.7 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.531 2.154 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.02 79.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -104.22 146.5 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.43 104.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.16 131.36 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.6 m -128.67 145.95 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -134.33 111.72 10.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -88.36 145.32 25.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -141.43 120.02 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.34 139.32 10.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -95.63 154.1 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -78.07 140.02 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.6 29.64 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.02 93.06 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -97.3 155.55 16.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -140.08 127.25 21.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.17 127.83 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -117.77 -38.81 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -133.17 173.97 20.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.27 137.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 137.82 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.02 150.21 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.52 148.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -81.24 109.82 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.94 -49.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -67.62 122.76 84.75 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.559 0.219 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.21 -19.7 29.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.132 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.7 101.01 8.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.54 156.65 64.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.429 2.086 . . . . 0.0 112.204 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -85.68 149.19 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 149.12 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -127.37 132.15 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -135.77 168.3 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -157.1 131.67 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 12.1 t -67.3 98.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.0 t -99.53 72.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.267 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.12 162.37 21.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.3 86.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.428 2.086 . . . . 0.0 112.226 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.09 -27.08 12.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 52.5 t -89.28 135.58 33.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.13 59.24 0.65 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 33.8 t -89.44 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -129.9 147.57 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -144.22 161.27 39.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -131.47 119.74 22.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.11 125.8 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -137.15 119.28 15.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.74 104.11 13.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.94 120.22 10.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.47 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.407 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 30.9 p -51.65 -45.03 63.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.27 163.55 30.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.758 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.56 -28.52 22.18 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.595 2.196 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.76 79.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -103.36 132.92 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 23.2 t -129.01 131.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.13 134.78 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.7 m -131.03 149.1 52.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -125.92 132.76 52.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -107.6 132.22 53.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.49 97.14 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 131.75 -161.36 23.73 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 138.48 22.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.75 140.97 32.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -123.69 31.15 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.3 p80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -110.73 86.58 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 68.7 m95 -87.12 170.11 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -158.35 128.92 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 127.24 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 52.6 p90 -110.81 -32.99 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -157.25 161.64 31.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -149.0 145.09 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -123.09 174.16 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.96 149.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 28.5 t -106.4 155.26 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -91.25 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.92 -48.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.595 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -66.87 130.07 93.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.453 0.168 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.5 -0.62 10.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.568 2.179 . . . . 0.0 112.806 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -111.43 94.19 21.73 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 -176.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.542 2.161 . . . . 0.0 112.306 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -106.01 145.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.5 m -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 27.4 m-85 -131.67 124.77 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -124.45 163.21 22.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.07 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 23.2 t -70.31 99.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.568 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.6 t -95.2 69.45 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.413 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.59 37.56 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.413 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 10.0 Cg_endo -53.1 91.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.142 . . . . 0.0 112.119 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.53 -25.99 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.364 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.64 130.07 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.91 64.63 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 33.4 t -88.85 156.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.229 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.2 123.97 17.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.416 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 30.7 pttt -119.37 154.54 33.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -118.86 113.86 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.7 t -88.82 128.35 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -143.26 146.2 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -121.15 125.53 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -79.01 115.9 18.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.33 10.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 13.6 p -55.54 -35.7 65.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 158.49 72.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.3 65.98 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.504 2.136 . . . . 0.0 112.183 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 2.4 tttm 65.66 83.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -122.94 154.34 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.1 t -124.99 112.72 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.8 p -110.74 115.52 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 22.9 m -121.88 155.85 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.3 m -125.92 144.18 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -123.58 109.52 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -109.44 97.18 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.87 153.22 8.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.608 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.23 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.31 123.48 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -101.15 31.96 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 12.3 p80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -125.09 107.97 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.439 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 17.9 m95 -104.67 156.01 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.3 138.08 43.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 432' ' ' TYR . 12.5 tttt -79.95 125.4 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.14 -36.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -146.67 168.98 27.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.575 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.94 143.9 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -125.15 141.75 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.05 131.79 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.29 118.52 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 146.79 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 82.74 -57.93 5.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.561 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.47 129.94 94.44 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.507 0.194 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.11 -28.79 8.7 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.47 2.113 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -95.21 108.72 40.59 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.08 173.72 8.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.401 2.067 . . . . 0.0 112.284 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -98.1 100.56 11.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 52.0 m -93.82 113.84 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -96.28 148.15 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.922 0.392 . . . . 0.0 110.989 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 51.7 m-85 -148.16 -178.39 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -167.13 133.76 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.439 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 19.3 t -67.43 101.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 24.6 p -97.43 69.1 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.341 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.09 151.18 37.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.37 91.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.599 2.199 . . . . 0.0 112.018 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.21 14.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 42.8 t -99.47 128.63 45.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.07 63.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.245 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 32.2 t -91.56 154.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 0.0 111.322 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -130.46 153.84 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.782 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 17.0 pttt -149.53 166.76 28.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.978 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -136.04 140.08 43.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.48 120.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.49 108.89 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -84.95 109.33 18.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.77 111.06 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.72 6.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -34.84 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.04 158.49 80.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.42 65.13 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.505 2.137 . . . . 0.0 112.178 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.67 83.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -126.92 143.63 51.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.158 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.92 96.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.0 p -94.13 124.51 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.9 m -124.45 119.34 28.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.94 153.64 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -131.76 131.02 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -124.0 106.95 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 99.65 149.02 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -92.83 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.05 30.62 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.427 ' CE2' ' CD2' ' A' ' 463' ' ' HIS . 10.6 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 85.16 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.411 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 65.9 m95 -94.49 169.43 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 151.18 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -95.2 131.73 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -112.86 -35.85 5.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -156.6 -177.35 29.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -159.64 145.33 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -177.69 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.1 p -135.07 156.13 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.5 139.87 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 132.77 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.65 -22.44 39.1 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.551 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.88 101.1 31.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.587 0.232 . . . . 0.0 110.78 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.99 -27.93 17.69 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.464 2.11 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.98 131.91 35.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.3 165.81 30.97 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -87.84 109.72 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 58.6 m -92.97 148.63 21.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -137.41 125.2 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.98 177.28 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 135.2 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.16 96.61 1.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 3.0 t -91.29 68.6 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.325 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.412 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -99.99 153.65 37.65 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.412 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 11.0 Cg_endo -54.3 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.626 2.217 . . . . 0.0 112.088 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.95 -24.86 25.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.407 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.408 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 41.8 t -99.56 118.55 36.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -120.44 64.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 26.3 t -87.14 154.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 142.39 48.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.411 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 1.8 pttt -141.85 159.32 42.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -125.99 142.0 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.98 100.37 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.99 119.72 34.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.65 93.48 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.86 111.59 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.52 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.411 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 60.1 p -52.52 -42.3 64.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.97 162.91 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.754 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.52 -29.25 31.23 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 81.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -113.47 128.43 56.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.81 95.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.42 134.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.5 156.9 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 108.9 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -89.41 146.68 24.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -139.36 91.33 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.52 -176.32 17.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -135.17 143.33 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.427 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 97.8 m-70 -84.33 139.46 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -141.95 38.73 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.0 p80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -92.74 104.33 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.414 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 78.1 m95 -103.76 158.02 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.71 138.23 23.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -83.11 133.07 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -113.5 -36.36 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -159.92 157.88 29.15 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -144.82 146.18 31.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -107.8 158.01 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -124.44 138.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.19 140.44 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 95.64 8.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 131.54 -35.59 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.33 121.64 84.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.545 0.212 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.21 -13.45 28.36 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.368 2.045 . . . . 0.0 112.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -112.55 90.74 15.3 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 151.4 15.13 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.476 2.117 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -86.25 154.24 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 71.4 m -144.55 157.98 43.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 430' ' ' SER . 14.0 m-85 -137.96 121.75 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.95 -177.9 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.84 132.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.24 102.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -98.26 70.41 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.537 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.422 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.17 151.29 37.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 73.8 Cg_exo -48.78 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.369 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.4 -24.31 27.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 39.8 t -96.52 136.53 36.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -138.61 61.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 442' ' ' ARG . 21.7 t -85.41 140.96 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.4 ' N ' HG12 ' A' ' 441' ' ' VAL . 19.0 mmm-85 -117.14 144.9 44.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.414 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 2.5 pttt -142.14 143.23 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -110.82 148.84 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.799 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.55 102.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.1 113.83 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.94 109.08 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -71.25 112.75 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.54 -30.86 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.1 t -55.2 -23.73 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.34 162.45 20.83 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -33.23 50.8 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.467 2.112 . . . . 0.0 112.105 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 179.96 75.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.73 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -104.83 135.9 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.98 84.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 9.4 p -77.61 144.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 21.0 m -143.78 129.43 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 22.6 m -104.71 146.99 28.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -120.95 128.41 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -127.73 117.89 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.73 174.42 22.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -130.96 157.02 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -86.94 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -125.82 30.85 5.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 11.7 p80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.876 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 107.19 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.456 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 51.2 m95 -104.52 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.4 153.36 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.05 143.3 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -137.51 -46.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -137.63 159.0 24.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.423 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.43 149.11 29.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -123.68 -177.15 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -132.42 155.74 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 16.4 t -124.92 144.97 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 108.13 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 113.69 -42.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -74.7 140.23 74.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.675 0.274 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.71 -41.27 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.68 113.02 46.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.92 -169.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.457 2.105 . . . . 0.0 112.271 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -119.14 110.23 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 9.5 m -99.46 159.62 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -140.33 118.21 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -110.7 177.47 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -162.54 127.71 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.456 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 14.6 t -66.97 95.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 10.1 t -93.51 70.06 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.191 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.92 161.36 24.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.31 90.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.529 2.153 . . . . 0.0 112.253 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 101.28 -25.97 26.26 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.99 132.28 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.84 64.05 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.85 141.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 121.86 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -117.04 163.3 16.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -130.56 125.23 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.08 118.7 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.038 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -126.15 133.46 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -107.51 117.91 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -84.28 123.23 29.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.46 -24.09 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.54 57.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.248 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.0 162.38 21.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.54 -29.36 31.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.489 2.126 . . . . 0.0 112.298 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -177.07 76.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -98.78 133.15 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.47 82.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.25 119.28 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 3.8 m -112.66 143.72 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 120.45 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.34 128.11 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -126.26 105.27 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 114.1 155.42 11.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -102.47 155.42 18.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.41 113.46 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -69.99 -25.39 63.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.75 106.31 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.417 ' CD2' ' HD3' ' A' ' 443' ' ' LYS . 8.3 m95 -99.25 144.85 27.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.788 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -120.51 143.09 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -79.58 144.47 33.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.72 -47.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -121.47 160.8 15.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.69 150.29 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.02 169.12 16.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.66 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.52 142.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 130.78 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 96.38 -32.64 6.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.31 111.82 45.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.532 0.206 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.5 -13.24 38.47 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.426 2.084 . . . . 0.0 112.541 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.74 94.31 19.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.22 175.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.575 2.183 . . . . 0.0 112.289 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -104.17 133.35 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.7 m -121.07 154.07 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -128.18 137.86 52.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -124.75 171.7 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.67 128.97 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.39 103.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.691 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 29.9 p -99.82 70.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.1 161.85 22.89 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.58 89.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.247 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.87 -25.09 28.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 51.9 t -85.6 131.81 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -134.38 62.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 29.5 t -92.04 154.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.265 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 414' ' ' TRP . 2.4 ptmm? -140.91 159.86 41.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -122.47 122.81 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.737 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.48 136.91 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -142.16 136.08 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -100.12 89.57 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.14 117.72 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.55 -24.11 24.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.291 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 74.9 p -51.73 -38.31 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 111.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 163.61 18.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.42 -29.81 25.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.534 2.156 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.91 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -100.26 130.97 46.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.57 93.55 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.92 127.49 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 4.5 m -127.14 146.28 50.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -129.81 145.18 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -113.16 143.68 43.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.38 87.38 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.85 165.49 12.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 152.9 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -85.47 146.45 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -127.21 29.97 5.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 12.9 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -81.25 96.92 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 66.7 m95 -98.51 158.75 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 151.61 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -94.1 131.94 39.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -126.49 -45.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.45 155.27 21.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.91 125.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 178.56 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -123.51 137.12 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.19 155.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -98.07 89.63 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 129.37 -31.8 3.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -89.11 112.1 49.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.87 -41.74 54.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.489 2.126 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -75.02 113.05 20.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.06 -167.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.432 2.088 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -123.31 132.67 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.5 m -124.54 151.08 45.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -139.74 103.2 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -96.39 -179.31 4.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.03 122.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 45.9 t -65.06 101.74 0.55 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.6 t -98.41 80.5 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.299 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.426 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 164.15 17.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 50.1 Cg_exo -54.32 -30.8 64.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.499 2.132 . . . . 0.0 112.464 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -136.83 38.98 1.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.412 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 32.8 t -162.1 131.7 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -131.98 64.92 0.6 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 442' ' ' ARG . 23.3 t -83.61 142.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.414 ' N ' HG13 ' A' ' 441' ' ' VAL . 7.5 mtt180 -120.24 124.42 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.426 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 13.1 pttp -123.24 132.85 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -102.92 129.26 49.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.67 107.02 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -117.82 114.38 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -94.46 103.63 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.39 110.53 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -85.75 -47.93 9.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 21.0 p -56.84 -31.57 64.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.58 158.22 66.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.91 68.07 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.493 2.129 . . . . 0.0 112.276 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 63.19 83.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -124.99 135.45 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.38 95.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.0 p -96.47 133.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.8 123.38 38.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 93.97 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -79.51 96.88 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -95.07 115.32 27.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 110.34 -170.61 14.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -145.6 147.39 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.61 114.02 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -98.26 35.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 13.2 p80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -97.62 98.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.405 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 67.5 m95 -103.3 157.47 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -149.76 131.97 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -72.3 150.54 43.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.013 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.1 p90 -138.52 -46.5 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -143.58 124.86 2.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.11 154.91 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -128.56 134.39 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.27 148.53 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.68 119.21 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 129.08 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.42 -27.96 17.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -91.21 129.5 43.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.501 0.191 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 -17.98 19.3 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.515 2.143 . . . . 0.0 112.546 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -110.95 94.69 21.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 -174.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -116.7 144.27 44.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 48.8 m -134.28 142.17 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.79 135.7 52.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -132.79 176.5 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -157.74 130.49 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.79 93.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.6 t -92.58 68.03 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.83 161.61 24.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.89 90.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.481 2.121 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.01 -26.98 22.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 28.8 t -84.05 127.97 34.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.991 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -129.29 62.53 0.64 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.21 151.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -129.37 132.07 46.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.405 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 17.7 pttt -124.92 155.52 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -131.2 108.35 9.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.45 113.34 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -129.35 143.82 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 108.12 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -74.92 131.12 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.39 -22.26 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.14 -39.84 57.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.827 0.346 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.01 160.39 27.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.83 -26.79 14.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -177.17 77.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -92.04 109.06 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.28 89.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.1 p -98.88 129.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.405 HG23 ' CE2' ' A' ' 459' ' ' TYR . 16.3 m -128.73 138.69 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 150.62 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.405 ' CE2' HG23 ' A' ' 457' ' ' THR . 50.3 m-85 -136.7 122.7 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -119.42 102.05 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 112.96 136.52 6.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -90.24 155.42 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.54 133.68 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -123.23 33.87 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' CE2' ' NE2' ' A' ' 463' ' ' HIS . 8.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -102.87 93.18 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.416 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 82.4 m95 -96.6 159.34 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -154.44 129.91 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -81.68 151.56 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.4 p90 -133.29 -46.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.89 -172.62 13.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.595 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -167.81 165.61 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -124.99 156.59 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.82 137.91 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 20.7 t -121.73 126.97 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 122.13 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 111.18 -41.02 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.57 132.65 48.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 110.782 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.59 -24.88 11.5 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.413 2.076 . . . . 0.0 112.395 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -100.43 107.13 46.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.009 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 -162.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.437 2.092 . . . . 0.0 112.18 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -126.86 121.68 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 0.7 OUTLIER -106.55 161.42 14.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 430' ' ' SER . 38.1 m-85 -152.45 99.27 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -91.24 -173.14 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -169.4 131.03 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 37.1 t -68.6 98.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.7 t -95.05 80.87 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.447 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.11 162.57 20.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 51.7 Cg_exo -53.72 -27.19 41.52 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -140.56 40.4 1.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 8.4 t -162.64 129.79 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.45 62.23 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.29 154.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -127.63 139.65 52.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.416 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 36.6 pttt -135.46 158.58 44.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -123.79 165.81 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.24 95.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.69 126.84 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.39 92.23 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -59.59 124.78 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.46 -21.89 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.296 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 2.3 p -50.76 -34.27 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.04 163.69 17.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.693 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.56 -30.84 29.4 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.474 2.116 . . . . 0.0 112.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.17 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -101.13 134.6 43.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.16 80.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.29 129.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.5 m -109.35 154.11 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.84 142.75 49.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -130.57 114.8 15.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.32 109.84 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 113.94 154.46 11.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 144.87 34.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.433 ' NE2' ' CE2' ' A' ' 412' ' ' TYR . 88.8 m-70 -67.08 148.35 52.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -128.72 40.76 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 8.8 p80 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -89.12 96.53 10.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -102.22 171.2 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -157.81 143.15 16.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.52 127.76 34.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.21 -34.21 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -162.23 178.31 38.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -169.4 170.61 8.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.366 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 -175.38 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.91 142.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 128.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 112.45 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.17 -29.01 10.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -101.84 139.9 20.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.642 0.258 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.42 -33.84 5.1 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.492 2.128 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -76.39 120.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.59 165.34 32.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.317 2.011 . . . . 0.0 112.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 155.1 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.0 m -136.62 135.35 38.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -121.29 124.44 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -123.71 175.51 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -166.04 134.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 19.9 t -73.34 93.98 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 t -92.18 71.16 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.08 163.28 18.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.83 89.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.539 2.16 . . . . 0.0 112.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.2 -26.98 22.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 49.1 t -85.89 134.12 33.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.98 62.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.564 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 35.4 t -90.65 149.15 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 0.0 111.107 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -128.56 149.48 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -143.42 154.38 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -124.74 120.52 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.5 t -100.41 100.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 138.34 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 117.68 34.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -81.39 118.65 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.38 37.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.307 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -41.2 61.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.917 0.389 . . . . 0.0 111.339 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.94 163.67 18.34 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.18 -27.87 23.94 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.27 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.95 76.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.24 147.27 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.68 96.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.67 127.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.225 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -111.87 159.43 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.0 m -141.19 100.13 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.5 137.49 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -137.84 102.23 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.53 148.49 7.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 136.45 42.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -66.05 135.15 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -109.71 31.4 5.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.5 108.44 20.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.688 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -107.66 167.52 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.32 131.65 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.89 139.76 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -128.04 -45.64 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.19 151.72 19.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.28 138.77 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.318 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -125.29 157.17 37.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.11 155.71 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 31.9 t -126.59 134.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.83 108.52 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.12 23.49 9.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.617 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -138.37 125.58 13.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.566 0.222 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.43 -18.68 25.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.362 2.041 . . . . 0.0 112.446 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.59 96.4 23.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.982 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.86 157.79 3.51 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.497 2.131 . . . . 0.0 112.283 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -78.62 145.53 34.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.58 123.75 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.43 139.85 40.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.0 -177.78 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.757 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 29.3 pttt -165.26 125.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.68 96.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.711 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 t -94.25 70.79 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.369 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.414 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.06 166.82 12.02 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.699 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 50.0 Cg_exo -53.93 88.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.374 2.049 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 100.05 -24.75 30.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.55 128.71 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.43 62.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.239 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 32.9 t -90.28 158.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.233 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -132.0 141.17 49.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -136.71 161.75 35.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -127.44 119.22 25.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.43 111.65 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -126.29 149.36 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -123.43 107.13 11.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.32 117.76 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.045 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.8 -49.58 10.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 6.3 p -55.1 -33.49 62.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.0 158.37 64.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.06 65.38 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.475 2.117 . . . . 0.0 112.256 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 78.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -108.23 134.21 51.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.84 94.7 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.1 p -96.68 125.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.5 m -131.76 123.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.2 m -109.6 146.88 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.19 167.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -157.66 91.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 135.01 -167.17 24.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -139.66 136.2 34.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -74.92 128.82 36.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -117.47 30.11 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 13.9 p80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.277 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.96 95.92 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 63.4 m95 -98.98 164.15 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.62 153.98 30.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.03 128.87 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -112.08 -32.91 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -161.58 139.89 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -129.16 119.85 24.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -87.62 175.16 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.38 139.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -116.27 120.43 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -61.15 114.68 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 114.01 -27.8 8.86 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.33 132.98 37.63 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.08 -26.24 9.45 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.434 2.089 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -107.17 100.06 30.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.28 173.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.532 2.155 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -80.22 146.93 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 48.9 m -130.66 120.84 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.37 110.41 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -107.72 -175.77 2.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.05 135.06 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 9.2 t -73.89 92.25 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.713 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.4 t -93.3 71.0 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.401 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.93 22.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.762 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 55.2 Cg_exo -52.19 90.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.579 2.186 . . . . 0.0 112.178 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.09 -24.43 30.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 43.4 t -88.27 133.7 33.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.21 62.78 0.6 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.336 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 26.5 t -93.94 158.59 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.19 149.79 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 2.4 pttp -146.97 131.63 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -98.02 119.99 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.89 94.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.48 139.51 39.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -112.49 118.08 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -69.51 116.89 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.65 -45.84 10.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -36.99 72.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 158.08 77.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.753 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.28 66.2 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.576 2.184 . . . . 0.0 112.195 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.9 tttm 67.42 85.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.92 103.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.0 p -99.68 112.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.45 147.64 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.206 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.21 129.18 43.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -110.24 126.33 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -124.45 113.42 18.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.42 175.22 22.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.536 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -122.62 164.53 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -93.07 121.32 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.7 -27.03 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 111.88 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 77.5 m95 -107.37 161.02 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.15 141.25 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 136.71 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.18 -46.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -135.97 171.49 22.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -167.37 132.26 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -105.64 157.39 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.32 134.94 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 26.9 t -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 128.07 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 99.31 -28.28 16.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.26 111.37 33.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.536 0.207 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 -14.2 41.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.601 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.69 94.23 19.07 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.98 169.66 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.556 2.171 . . . . 0.0 112.39 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -105.33 119.94 40.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 73.8 m -104.89 146.43 29.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -130.37 116.0 17.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -108.03 173.88 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.96 127.11 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.067 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 13.5 t -70.87 97.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -95.45 70.37 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.15 156.19 35.56 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 76.5 Cg_exo -50.22 98.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.556 2.171 . . . . 0.0 112.432 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.91 -25.3 27.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 36.6 t -92.52 135.09 34.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.76 62.02 0.6 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.192 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 25.5 t -87.39 158.92 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.292 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -140.22 142.06 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.413 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 14.2 pttt -141.3 143.26 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.35 116.22 28.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.31 106.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -121.29 135.14 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -98.77 124.07 43.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -70.37 108.11 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.59 -54.6 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 32.3 p -55.57 -45.98 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.26 158.46 64.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 66.56 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.209 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.59 81.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -125.15 160.84 28.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 102.25 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.41 147.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 5.3 m -144.83 147.38 32.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 17.7 m -129.7 112.59 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -95.06 145.67 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -142.54 111.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.51 23.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 166.19 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -89.1 139.25 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.71 33.73 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 5.9 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.847 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -121.61 105.64 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.444 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 57.5 m95 -102.67 162.9 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -156.27 138.64 14.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.402 ' HD3' ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -68.21 146.77 53.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -138.72 -47.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -134.39 138.49 10.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.565 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.71 109.77 5.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.32 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.41 148.69 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.0 138.88 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -77.74 94.67 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 135.22 -49.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -75.85 134.49 71.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.518 0.199 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.69 -29.53 8.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.464 2.109 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -82.6 122.1 78.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 169.37 21.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.515 2.143 . . . . 0.0 112.22 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -108.53 104.56 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.5 m -98.74 144.57 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.58 135.18 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.402 ' CE2' ' HD3' ' A' ' 416' ' ' LYS . 62.0 m-85 -116.43 178.97 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -166.27 130.6 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 6.7 t -66.35 98.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.42 69.04 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.02 158.74 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.6 89.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.439 2.093 . . . . 0.0 112.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.45 -27.18 19.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 52.4 t -85.89 128.4 34.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.79 62.96 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 442' ' ' ARG . 21.6 t -91.62 142.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.995 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.403 ' N ' HG11 ' A' ' 441' ' ' VAL . 74.3 mtt85 -125.18 132.47 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -129.33 157.57 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -125.82 143.35 51.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 23.0 t -124.99 84.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -84.9 153.2 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -127.97 97.16 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -67.52 130.91 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.82 23.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.335 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -51.62 -37.39 49.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 163.68 17.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.08 -28.08 23.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 76.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.99 126.49 36.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.9 t -127.87 85.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.54 141.2 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 23.9 m -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.39 132.04 44.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.4 123.58 49.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.07 119.79 31.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 106.01 165.65 23.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -115.57 157.87 23.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -81.38 142.88 32.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.5 31.26 6.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.1 p80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -120.6 105.96 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -103.87 158.95 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.36 147.54 38.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.32 141.37 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 418' ' ' GLY . 54.4 p90 -127.18 -46.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 417' ' ' TYR . . . -144.86 175.84 24.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.91 142.44 33.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 431' ' ' TYR . 0.0 OUTLIER -112.65 169.33 8.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.89 146.5 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 19.7 t -125.59 117.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -65.83 115.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 120.47 -49.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.07 130.26 57.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.605 0.24 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.2 -29.53 11.47 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.441 2.094 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.6 122.57 86.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 162.76 40.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.39 2.06 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.43 122.7 42.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 74.1 m -107.36 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 13.8 m-85 -103.13 145.18 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -141.02 169.43 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 133.32 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 20.8 t -75.24 98.52 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -94.56 70.79 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 163.13 18.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.16 89.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.29 -28.0 17.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 53.4 t -85.05 134.36 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -137.2 62.93 0.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 28.8 t -86.65 155.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 111.036 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.46 120.93 13.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -117.7 160.78 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -123.3 124.23 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.28 112.53 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -133.82 141.51 47.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -103.98 121.86 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -76.51 119.93 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.38 -28.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.244 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 81.3 p -51.91 -31.99 30.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 157.41 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.89 -24.17 23.34 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.181 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -110.79 141.67 43.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.41 91.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.69 134.06 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 22.5 m -130.03 121.37 26.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.4 m -95.73 152.12 18.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -134.29 107.63 7.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -109.07 116.14 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 98.2 139.5 10.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -91.76 174.02 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -96.16 133.96 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -103.72 31.19 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.0 p80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.885 0.374 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -147.94 78.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.81 28.97 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 34.2 p -140.37 39.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 84.3 p -113.57 121.2 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -87.77 125.86 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 17.1 m -90.31 179.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.26 125.2 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.4 123.23 25.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.08 92.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.74 146.4 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -144.66 31.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 127.82 -68.93 0.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.9 147.34 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -79.81 98.69 7.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.416 ' CH2' ' HD3' ' A' ' 443' ' ' LYS . 63.2 m95 -98.84 147.45 24.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -126.78 140.03 52.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -87.95 126.11 34.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -112.16 -34.63 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -170.48 148.39 11.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.589 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -124.52 163.93 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -130.35 144.74 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.11 151.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 12.6 t -138.3 130.48 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -33.87 76.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . -74.94 -13.29 82.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.773 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -115.98 135.12 22.69 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 122.817 -0.225 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.53 -27.1 11.27 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.481 2.121 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -103.3 141.46 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.75 166.67 26.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -105.74 112.97 26.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.1 m -102.52 126.77 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -112.65 135.07 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -129.18 -174.47 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.07 128.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.17 98.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.05 69.25 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.268 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 163.47 18.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.76 91.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.301 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.48 19.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 49.3 t -83.84 125.71 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.73 63.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.424 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 29.8 t -89.74 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.37 123.19 38.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.416 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -118.73 150.36 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -119.19 124.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.27 97.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -118.26 147.87 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.04 121.51 41.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -73.67 111.52 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.73 -51.48 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -31.33 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.42 158.19 46.29 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.96 65.35 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.488 2.125 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.32 77.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -111.82 114.57 27.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 91.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.7 p -89.65 114.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.4 m -120.95 125.87 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.54 119.01 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.11 100.02 11.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -88.45 100.98 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.39 166.06 14.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -122.9 142.25 51.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -66.64 155.07 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.87 31.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -140.51 16.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.328 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 57.34 176.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.16 126.96 70.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.95 172.78 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 112.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.173 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.63 136.42 13.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.71 106.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.1 96.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 35.4 p -133.86 90.37 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -98.49 98.9 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 6.1 m -96.94 116.51 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -109.88 -31.43 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 21.2 mt -98.64 118.22 34.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 107.99 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -86.98 140.66 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.63 35.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 148.02 -67.46 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -103.81 150.61 23.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 110.55 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.451 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 28.0 m95 -108.01 165.22 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.14 144.32 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -73.9 158.87 33.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 53.1 p90 -155.82 -46.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . 0.422 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -129.02 165.46 21.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -159.11 122.11 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.0 149.44 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.14 152.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.04 128.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 133.62 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.14 -54.31 2.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -66.06 119.19 59.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.538 0.208 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.48 -0.21 10.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.495 2.13 . . . . 0.0 112.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -111.7 92.85 18.16 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -50.88 178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.505 2.137 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -115.79 130.92 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 15.5 m -109.5 151.56 26.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.08 120.71 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -118.81 173.45 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.4 ' HD3' ' CD2' ' A' ' 417' ' ' TYR . 10.3 pttm -162.14 131.45 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 111.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.451 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 38.7 t -64.65 101.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.596 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 8.8 t -97.41 77.67 2.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.621 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.433 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.3 OUTLIER -100.21 150.55 37.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 87.6 Cg_exo -47.62 -27.03 7.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.503 2.135 . . . . 0.0 112.437 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -135.19 43.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.256 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 34.7 t -164.8 139.53 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.749 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.25 64.49 0.57 Allowed Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 25.2 t -90.33 141.84 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.731 0.301 . . . . 0.0 111.085 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -123.0 129.78 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -123.52 163.19 21.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.42 153.21 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.11 111.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.55 133.42 54.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 51.6 mtt85 -104.02 102.5 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -59.81 119.23 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.76 -23.61 24.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 55.3 p -52.92 -34.12 53.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 160.7 26.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.59 -27.45 25.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.541 2.161 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -176.65 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -107.09 137.59 44.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.058 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.77 104.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.09 144.02 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.03 155.94 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.23 154.41 50.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -133.56 117.23 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.86 115.83 25.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.14 150.27 21.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.45 153.19 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.39 136.86 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -104.43 30.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -153.17 164.75 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -73.16 -173.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.823 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.7 mp -94.88 110.15 48.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.21 -168.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.4 2.067 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.749 0.309 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -78.6 79.98 5.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 6.1 t -143.51 165.02 28.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.04 102.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -84.12 114.19 21.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.23 131.61 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -90.95 46.68 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 44.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.6 mt -97.11 39.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -73.83 142.63 46.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.808 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 412' ' ' TYR . 71.9 m-20 59.94 30.5 20.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 59.38 22.38 56.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.591 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 410' ' ' ASP . 46.3 m-85 -119.16 142.87 47.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -98.87 116.53 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.438 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 46.2 m95 -110.47 152.75 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 136.48 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -78.76 146.25 33.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 44.6 p90 -130.71 -46.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . 0.427 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.58 151.76 22.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.64 149.17 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -116.34 139.21 50.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.41 143.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.96 111.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.34 79.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.55 -30.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -98.85 139.79 21.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.64 0.257 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.29 -27.98 9.1 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.465 2.11 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -95.08 107.24 30.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.84 152.52 73.77 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.413 2.075 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -78.92 146.63 33.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.2 m -140.16 142.89 35.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -123.12 138.19 54.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.22 173.56 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.86 131.02 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.438 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 8.0 t -65.16 100.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 8.9 t -96.67 66.71 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.422 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.405 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.03 152.91 37.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 74.6 Cg_exo -49.52 100.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.416 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.81 -23.56 34.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 40.5 t -96.82 125.44 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.9 63.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 31.7 t -89.49 147.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 141.43 51.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -137.15 146.35 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -109.05 134.17 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 114.0 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.48 127.42 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 124.39 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -81.82 98.99 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.29 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 73.3 p -56.76 -33.4 66.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.57 158.36 73.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.08 66.63 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.5 2.133 . . . . 0.0 112.263 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt 63.73 81.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -127.5 155.98 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.52 105.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.5 130.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.86 140.61 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -125.71 143.79 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -129.6 115.66 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -117.48 110.3 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 119.92 152.1 8.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -112.26 147.43 36.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -65.9 144.84 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.0 21.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -139.55 13.13 2.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 50.46 -176.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.833 0.349 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.0 113.33 34.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 170.37 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.446 2.098 . . . . 0.0 112.383 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.148 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.52 88.51 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 6.1 t -95.05 79.71 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.085 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 2.9 p -89.64 108.11 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 11.3 m -110.5 34.17 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.21 92.79 7.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 115.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.055 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.45 149.42 40.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.784 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 4.8 mt -62.71 97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.1 tt -86.23 122.52 30.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -85.38 117.55 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -144.27 -60.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -108.32 -60.11 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -110.1 161.65 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.72 95.52 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 43.4 m95 -90.48 175.54 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.41 134.26 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -74.72 135.77 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.417 ' CD1' ' HG2' ' A' ' 433' ' ' LYS . 10.7 p90 -130.54 -46.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -125.41 147.9 16.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -143.01 146.1 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 156.24 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.7 p -121.82 111.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 28.5 t -88.18 138.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.15 137.52 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 91.14 -48.68 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.28 129.47 77.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.08 -33.94 4.13 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.501 2.134 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -74.42 116.08 49.64 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.92 174.48 7.7 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.404 2.07 . . . . 0.0 112.213 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -114.9 106.85 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.3 m -98.75 137.53 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.18 103.68 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.8 164.57 13.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.417 ' HG2' ' CD1' ' A' ' 417' ' ' TYR . 0.0 OUTLIER -156.62 128.56 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.304 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.424 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 18.3 t -67.05 95.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.5 t -94.23 73.69 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.667 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.417 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.28 167.19 11.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 50.0 Cg_exo -54.08 88.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.355 2.037 . . . . 0.0 112.195 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.3 -24.36 30.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 50.9 t -87.55 138.93 31.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -140.92 55.06 0.62 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.24 150.59 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -129.31 152.78 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.405 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 6.8 pttt -151.63 131.94 13.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -102.22 119.64 39.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.36 97.24 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.61 127.07 55.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -100.72 111.44 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.14 119.35 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -85.47 -26.51 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -37.8 63.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.226 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.03 163.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.77 -34.49 44.7 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.531 2.154 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.02 79.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -104.22 146.5 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.43 104.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.16 131.36 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.6 m -128.67 145.95 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -134.33 111.72 10.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -88.36 145.32 25.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -141.43 120.02 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.34 139.32 10.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -95.63 154.1 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -78.07 140.02 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.6 29.64 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -141.81 139.18 32.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.69 146.65 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.65 124.6 87.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.09 165.29 32.88 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.468 2.112 . . . . 0.0 112.264 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.12 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.834 0.35 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.88 94.88 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 20.7 p -120.45 152.03 38.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 34.0 p -96.28 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 6.3 m -108.04 93.39 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 105.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 23.4 m -59.96 107.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -83.18 -32.67 26.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 432' ' ' TYR . 0.1 OUTLIER -85.12 93.08 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.8 127.94 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.53 103.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 85.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 145.56 -83.02 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -127.37 161.04 29.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.02 93.06 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -97.3 155.55 16.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -140.08 127.25 21.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.17 127.83 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -117.77 -38.81 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -133.17 173.97 20.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.27 137.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 137.82 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.02 150.21 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.52 148.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -81.24 109.82 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.94 -49.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -67.62 122.76 84.75 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.559 0.219 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.21 -19.7 29.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.132 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.7 101.01 8.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.54 156.65 64.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.429 2.086 . . . . 0.0 112.204 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -85.68 149.19 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 149.12 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -127.37 132.15 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.421 ' CE1' HD22 ' A' ' 407' ' ' LEU . 6.8 m-85 -135.77 168.3 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.752 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -157.1 131.67 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 12.1 t -67.3 98.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.0 t -99.53 72.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.267 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.12 162.37 21.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.3 86.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.428 2.086 . . . . 0.0 112.226 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.09 -27.08 12.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 52.5 t -89.28 135.58 33.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.13 59.24 0.65 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 33.8 t -89.44 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -129.9 147.57 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -144.22 161.27 39.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -131.47 119.74 22.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.11 125.8 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -137.15 119.28 15.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.74 104.11 13.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -62.94 120.22 10.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.47 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.407 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 30.9 p -51.65 -45.03 63.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.27 163.55 30.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.758 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.56 -28.52 22.18 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.595 2.196 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.76 79.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -103.36 132.92 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 23.2 t -129.01 131.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.13 134.78 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.7 m -131.03 149.1 52.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -125.92 132.76 52.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -107.6 132.22 53.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.49 97.14 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 131.75 -161.36 23.73 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 138.48 22.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.75 140.97 32.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -123.69 31.15 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -146.3 157.67 43.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -59.54 177.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 2.1 mp -100.0 106.72 42.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.88 -175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.449 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.116 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -93.7 151.42 19.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 34.7 p -65.99 -31.97 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.9 p -96.91 144.1 27.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.04 123.66 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.69 114.45 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 9.2 m -80.97 99.35 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -84.8 117.95 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 432' ' ' TYR . 0.3 OUTLIER -67.15 104.2 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.16 89.67 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.22 163.97 20.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -138.31 84.14 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 160.39 -46.41 0.41 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -111.25 163.55 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -110.73 86.58 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 68.7 m95 -87.12 170.11 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -158.35 128.92 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 127.24 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 52.6 p90 -110.81 -32.99 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -157.25 161.64 31.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -149.0 145.09 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -123.09 174.16 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.96 149.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 28.5 t -106.4 155.26 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -91.25 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.92 -48.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.595 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -66.87 130.07 93.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.453 0.168 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.5 -0.62 10.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.568 2.179 . . . . 0.0 112.806 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -111.43 94.19 21.73 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 -176.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.542 2.161 . . . . 0.0 112.306 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -106.01 145.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.5 m -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 27.4 m-85 -131.67 124.77 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.422 ' CE1' HD21 ' A' ' 407' ' ' LEU . 46.3 m-85 -124.45 163.21 22.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.07 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 23.2 t -70.31 99.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.568 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.6 t -95.2 69.45 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.413 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.59 37.56 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.413 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 10.0 Cg_endo -53.1 91.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.142 . . . . 0.0 112.119 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.53 -25.99 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.364 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.64 130.07 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.91 64.63 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 33.4 t -88.85 156.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.229 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.2 123.97 17.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.416 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 30.7 pttt -119.37 154.54 33.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -118.86 113.86 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.7 t -88.82 128.35 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -143.26 146.2 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -121.15 125.53 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -79.01 115.9 18.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.33 10.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 13.6 p -55.54 -35.7 65.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 158.49 72.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.3 65.98 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.504 2.136 . . . . 0.0 112.183 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 2.4 tttm 65.66 83.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -122.94 154.34 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.1 t -124.99 112.72 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.8 p -110.74 115.52 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 22.9 m -121.88 155.85 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.3 m -125.92 144.18 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -123.58 109.52 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -109.44 97.18 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.87 153.22 8.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.608 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.23 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.31 123.48 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -101.15 31.96 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -148.41 148.56 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.04 145.87 49.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.81 110.43 2.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.35 -165.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.47 2.113 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.054 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -110.2 31.42 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 9.8 t -89.32 -30.67 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 65.8 p -140.41 135.16 31.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 19.4 m -147.28 96.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -90.33 83.89 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.55 122.69 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -131.27 168.52 17.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.91 88.17 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 4.2 mt -93.07 129.73 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -98.56 -172.23 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.12 -41.23 10.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -113.08 -69.39 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.55 166.9 22.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -125.09 107.97 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.439 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 17.9 m95 -104.67 156.01 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.3 138.08 43.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 432' ' ' TYR . 12.5 tttt -79.95 125.4 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.14 -36.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -146.67 168.98 27.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.575 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.94 143.9 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -125.15 141.75 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.05 131.79 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.29 118.52 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 146.79 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 82.74 -57.93 5.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.561 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.47 129.94 94.44 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.507 0.194 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.11 -28.79 8.7 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.47 2.113 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -95.21 108.72 40.59 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.08 173.72 8.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.401 2.067 . . . . 0.0 112.284 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -98.1 100.56 11.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' SER . . . . . 0.411 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 52.0 m -93.82 113.84 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -96.28 148.15 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.922 0.392 . . . . 0.0 110.989 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.411 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 51.7 m-85 -148.16 -178.39 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -167.13 133.76 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.439 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 19.3 t -67.43 101.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 24.6 p -97.43 69.1 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.341 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.09 151.18 37.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -53.37 91.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.599 2.199 . . . . 0.0 112.018 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.21 14.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 42.8 t -99.47 128.63 45.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.07 63.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.245 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 32.2 t -91.56 154.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 0.0 111.322 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -130.46 153.84 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.782 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 17.0 pttt -149.53 166.76 28.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.978 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -136.04 140.08 43.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.48 120.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.49 108.89 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -84.95 109.33 18.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.77 111.06 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.72 6.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -34.84 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.04 158.49 80.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.42 65.13 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.505 2.137 . . . . 0.0 112.178 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.67 83.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -126.92 143.63 51.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.158 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.92 96.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.0 p -94.13 124.51 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.9 m -124.45 119.34 28.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.94 153.64 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -131.76 131.02 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -124.0 106.95 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 99.65 149.02 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -92.83 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.05 30.62 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -148.82 155.83 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.8 -173.99 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.5 mp -92.01 111.29 49.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 -168.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.364 2.043 . . . . 0.0 112.219 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.107 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -155.02 119.79 4.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 9.8 p -62.44 134.78 56.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 6.8 m -126.8 110.13 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.53 172.11 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.07 173.94 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.779 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.1 127.55 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.5 163.91 23.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.1 mt -95.62 85.93 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.3 mp -100.0 -178.37 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.15 84.38 3.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -125.94 -48.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -112.31 -80.53 1.05 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.427 ' CE2' ' CD2' ' A' ' 463' ' ' HIS . 10.6 m-85 -129.28 178.39 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 85.16 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.411 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 65.9 m95 -94.49 169.43 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 151.18 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -95.2 131.73 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -112.86 -35.85 5.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -156.6 -177.35 29.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -159.64 145.33 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -177.69 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.1 p -135.07 156.13 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.5 139.87 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 132.77 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.65 -22.44 39.1 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.551 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.88 101.1 31.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.587 0.232 . . . . 0.0 110.78 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.99 -27.93 17.69 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.464 2.11 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.98 131.91 35.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.3 165.81 30.97 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -87.84 109.72 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 58.6 m -92.97 148.63 21.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -137.41 125.2 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.98 177.28 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 135.2 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.16 96.61 1.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 3.0 t -91.29 68.6 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.325 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.412 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -99.99 153.65 37.65 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.412 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 11.0 Cg_endo -54.3 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.626 2.217 . . . . 0.0 112.088 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.95 -24.86 25.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.407 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.408 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 41.8 t -99.56 118.55 36.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -120.44 64.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 26.3 t -87.14 154.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 142.39 48.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.411 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 1.8 pttt -141.85 159.32 42.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -125.99 142.0 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.98 100.37 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.99 119.72 34.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.65 93.48 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.86 111.59 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.52 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.411 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 60.1 p -52.52 -42.3 64.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.97 162.91 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.754 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.52 -29.25 31.23 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 81.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -113.47 128.43 56.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.81 95.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.42 134.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.5 156.9 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 108.9 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -89.41 146.68 24.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -139.36 91.33 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.52 -176.32 17.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -135.17 143.33 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.427 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 97.8 m-70 -84.33 139.46 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -141.95 38.73 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -134.67 168.65 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -83.82 158.97 21.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.22 138.25 78.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.88 161.04 47.46 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.442 2.095 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.103 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.89 0.376 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -89.62 152.92 21.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.84 97.33 7.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.9 t -108.93 124.51 50.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -38.26 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -100.08 116.61 32.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 11.4 p -97.72 112.67 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.067 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -91.09 -71.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.31 109.91 20.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -178.24 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -92.44 123.47 35.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.99 -45.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 179.64 -50.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -104.51 159.71 15.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -92.74 104.33 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.414 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 78.1 m95 -103.76 158.02 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.71 138.23 23.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -83.11 133.07 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -113.5 -36.36 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -159.92 157.88 29.15 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -144.82 146.18 31.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -107.8 158.01 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -124.44 138.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.19 140.44 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 95.64 8.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 131.54 -35.59 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.33 121.64 84.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.545 0.212 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.21 -13.45 28.36 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.368 2.045 . . . . 0.0 112.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -112.55 90.74 15.3 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 151.4 15.13 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.476 2.117 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -86.25 154.24 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 71.4 m -144.55 157.98 43.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 430' ' ' SER . 14.0 m-85 -137.96 121.75 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.95 -177.9 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.84 132.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.24 102.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -98.26 70.41 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.537 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.422 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.17 151.29 37.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 73.8 Cg_exo -48.78 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.369 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.4 -24.31 27.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 39.8 t -96.52 136.53 36.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -138.61 61.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 442' ' ' ARG . 21.7 t -85.41 140.96 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.4 ' N ' HG12 ' A' ' 441' ' ' VAL . 19.0 mmm-85 -117.14 144.9 44.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.414 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 2.5 pttt -142.14 143.23 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -110.82 148.84 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.799 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.55 102.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.1 113.83 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.94 109.08 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -71.25 112.75 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.54 -30.86 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.1 t -55.2 -23.73 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.34 162.45 20.83 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -33.23 50.8 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.467 2.112 . . . . 0.0 112.105 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 179.96 75.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.73 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -104.83 135.9 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.98 84.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 9.4 p -77.61 144.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 21.0 m -143.78 129.43 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 22.6 m -104.71 146.99 28.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -120.95 128.41 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -127.73 117.89 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.73 174.42 22.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -130.96 157.02 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -86.94 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -125.82 30.85 5.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -142.21 156.66 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.89 162.43 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.11 113.22 36.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.89 -178.05 3.26 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.432 2.088 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.08 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.75 84.17 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 2.8 p -110.35 30.55 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -167.34 -64.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 54.7 p -115.41 147.51 40.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 97.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 14.4 p -81.83 121.34 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -101.56 -31.61 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.438 ' CD2' ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -81.37 104.39 11.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 112.25 24.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -76.45 112.1 12.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.35 -40.35 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -161.12 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 467' ' ' LEU . 9.5 m-85 -84.68 159.45 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 107.19 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.456 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 51.2 m95 -104.52 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.4 153.36 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.05 143.3 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -137.51 -46.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -137.63 159.0 24.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.423 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.43 149.11 29.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -123.68 -177.15 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -132.42 155.74 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 16.4 t -124.92 144.97 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.024 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 108.13 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 113.69 -42.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -74.7 140.23 74.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.675 0.274 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.71 -41.27 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.68 113.02 46.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.92 -169.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.457 2.105 . . . . 0.0 112.271 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -119.14 110.23 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 9.5 m -99.46 159.62 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -140.33 118.21 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.438 ' CE2' ' CD2' ' A' ' 407' ' ' LEU . 28.2 m-85 -110.7 177.47 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -162.54 127.71 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.456 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 14.6 t -66.97 95.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 10.1 t -93.51 70.06 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.191 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.92 161.36 24.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.31 90.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.529 2.153 . . . . 0.0 112.253 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 101.28 -25.97 26.26 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.99 132.28 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.84 64.05 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 21.7 t -93.85 141.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 121.86 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -117.04 163.3 16.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -130.56 125.23 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.08 118.7 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.038 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -126.15 133.46 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -107.51 117.91 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -84.28 123.23 29.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.46 -24.09 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.54 57.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.248 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.0 162.38 21.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.54 -29.36 31.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.489 2.126 . . . . 0.0 112.298 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -177.07 76.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -98.78 133.15 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.47 82.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.25 119.28 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.997 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 3.8 m -112.66 143.72 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 120.45 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.34 128.11 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -126.26 105.27 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 114.1 155.42 11.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -102.47 155.42 18.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.41 113.46 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -69.99 -25.39 63.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -94.06 129.9 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.42 169.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.125 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 412' ' ' TYR . 3.9 mm? -64.51 111.79 6.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.64 176.74 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.486 2.124 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.096 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.49 86.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 9.4 t -100.52 117.53 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 101.85 5.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.1 p -80.21 139.28 36.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.16 110.3 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 4.5 m -83.39 119.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -111.24 126.86 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -91.53 129.57 37.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 36.6 mt -88.0 54.4 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -176.17 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -113.69 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 146.02 -53.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.419 ' CE1' HD23 ' A' ' 467' ' ' LEU . 12.3 m-85 -60.53 139.31 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.75 106.31 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.417 ' CD2' ' HD3' ' A' ' 443' ' ' LYS . 8.3 m95 -99.25 144.85 27.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.788 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -120.51 143.09 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -79.58 144.47 33.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.72 -47.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -121.47 160.8 15.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.69 150.29 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.02 169.12 16.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.66 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.52 142.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 130.78 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 96.38 -32.64 6.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.31 111.82 45.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.532 0.206 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.5 -13.24 38.47 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.426 2.084 . . . . 0.0 112.541 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.74 94.31 19.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.22 175.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.575 2.183 . . . . 0.0 112.289 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -104.17 133.35 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.7 m -121.07 154.07 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -128.18 137.86 52.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -124.75 171.7 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.67 128.97 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.39 103.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.691 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 29.9 p -99.82 70.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.1 161.85 22.89 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.58 89.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.247 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.87 -25.09 28.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 51.9 t -85.6 131.81 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -134.38 62.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 29.5 t -92.04 154.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.265 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 414' ' ' TRP . 2.4 ptmm? -140.91 159.86 41.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -122.47 122.81 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.737 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.48 136.91 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -142.16 136.08 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -100.12 89.57 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.14 117.72 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.55 -24.11 24.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.291 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 74.9 p -51.73 -38.31 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 111.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 163.61 18.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.42 -29.81 25.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.534 2.156 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.91 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -100.26 130.97 46.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.57 93.55 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.92 127.49 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 4.5 m -127.14 146.28 50.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -129.81 145.18 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -113.16 143.68 43.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.38 87.38 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.85 165.49 12.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 152.9 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -85.47 146.45 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -127.21 29.97 5.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -144.88 139.35 27.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.01 165.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.419 HD23 ' CE1' ' A' ' 412' ' ' TYR . 95.1 mt -71.74 113.57 21.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.07 177.72 7.42 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.524 2.149 . . . . 0.0 112.395 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.051 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.849 0.357 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -157.76 90.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 33.6 p -99.24 177.79 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 2.0 m -152.48 127.51 9.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 8.1 m -113.57 147.18 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -65.93 100.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 6.6 m -71.45 117.81 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.1 54.87 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.406 HD22 ' CZ ' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -99.09 39.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.84 121.95 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.97 119.09 7.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 31.29 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 178.23 -70.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.417 ' CE1' HD21 ' A' ' 467' ' ' LEU . 55.2 m-85 -128.02 154.83 45.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -81.25 96.92 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 66.7 m95 -98.51 158.75 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 151.61 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -94.1 131.94 39.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -126.49 -45.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.45 155.27 21.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.91 125.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 178.56 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -123.51 137.12 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.6 t -89.19 155.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -98.07 89.63 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 129.37 -31.8 3.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -89.11 112.1 49.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.87 -41.74 54.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.489 2.126 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -75.02 113.05 20.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.06 -167.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.432 2.088 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -123.31 132.67 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.5 m -124.54 151.08 45.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -139.74 103.2 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.406 ' CZ ' HD22 ' A' ' 407' ' ' LEU . 76.3 m-85 -96.39 -179.31 4.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.03 122.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 45.9 t -65.06 101.74 0.55 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.6 t -98.41 80.5 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.299 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.426 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 164.15 17.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 50.1 Cg_exo -54.32 -30.8 64.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.499 2.132 . . . . 0.0 112.464 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -136.83 38.98 1.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.412 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 32.8 t -162.1 131.7 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -131.98 64.92 0.6 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 442' ' ' ARG . 23.3 t -83.61 142.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.414 ' N ' HG13 ' A' ' 441' ' ' VAL . 7.5 mtt180 -120.24 124.42 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.426 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 13.1 pttp -123.24 132.85 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -102.92 129.26 49.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.67 107.02 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -117.82 114.38 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -94.46 103.63 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -65.39 110.53 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -85.75 -47.93 9.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 21.0 p -56.84 -31.57 64.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.58 158.22 66.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.91 68.07 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.493 2.129 . . . . 0.0 112.276 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 63.19 83.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -124.99 135.45 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.38 95.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.0 p -96.47 133.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.8 123.38 38.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 93.97 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -79.51 96.88 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -95.07 115.32 27.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 110.34 -170.61 14.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -145.6 147.39 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.61 114.02 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -98.26 35.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -148.31 143.77 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 153.48 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.792 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 412' ' ' TYR . 12.8 mt -62.28 127.48 89.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.73 178.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.405 2.07 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.079 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -107.45 141.36 38.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -153.24 168.4 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.87 -67.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 53.0 p -106.83 142.4 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -90.72 51.58 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 12.1 m -85.7 66.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.48 -31.51 21.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 88.68 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.1 tp -81.62 108.8 15.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -79.59 83.56 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.61 -48.32 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -85.72 -63.36 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -135.83 172.83 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -97.62 98.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.405 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 67.5 m95 -103.3 157.47 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -149.76 131.97 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -72.3 150.54 43.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.013 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.1 p90 -138.52 -46.5 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -143.58 124.86 2.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.11 154.91 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -128.56 134.39 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.27 148.53 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.68 119.21 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 129.08 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.42 -27.96 17.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -91.21 129.5 43.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.501 0.191 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 -17.98 19.3 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.515 2.143 . . . . 0.0 112.546 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -110.95 94.69 21.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 -174.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -116.7 144.27 44.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 48.8 m -134.28 142.17 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.79 135.7 52.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -132.79 176.5 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -157.74 130.49 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.79 93.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.6 t -92.58 68.03 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.83 161.61 24.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.89 90.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.481 2.121 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.01 -26.98 22.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 28.8 t -84.05 127.97 34.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.991 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -129.29 62.53 0.64 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.21 151.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -129.37 132.07 46.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.405 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 17.7 pttt -124.92 155.52 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -131.2 108.35 9.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.45 113.34 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -129.35 143.82 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 108.12 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -74.92 131.12 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.39 -22.26 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.14 -39.84 57.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.827 0.346 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.01 160.39 27.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.83 -26.79 14.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -177.17 77.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -92.04 109.06 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.28 89.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.1 p -98.88 129.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.405 HG23 ' CE2' ' A' ' 459' ' ' TYR . 16.3 m -128.73 138.69 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 150.62 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.405 ' CE2' HG23 ' A' ' 457' ' ' THR . 50.3 m-85 -136.7 122.7 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -119.42 102.05 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 112.96 136.52 6.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -90.24 155.42 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.54 133.68 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -123.23 33.87 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -135.73 158.01 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.67 158.27 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.75 113.37 20.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.03 -178.95 2.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.459 2.106 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.111 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.743 0.306 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -119.48 101.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 4.0 t -83.61 85.51 7.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 13.7 p -115.24 154.87 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 24.2 t -74.72 100.49 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.58 91.97 8.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 12.1 p -89.49 112.73 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.93 123.98 26.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.15 110.92 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 122.11 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.75 110.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -112.78 -169.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -96.94 28.83 12.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' CE2' ' NE2' ' A' ' 463' ' ' HIS . 8.6 m-85 -154.93 175.22 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -102.87 93.18 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.416 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 82.4 m95 -96.6 159.34 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -154.44 129.91 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -81.68 151.56 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.4 p90 -133.29 -46.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.89 -172.62 13.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.595 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -167.81 165.61 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -124.99 156.59 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.82 137.91 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 20.7 t -121.73 126.97 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 122.13 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 111.18 -41.02 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.57 132.65 48.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 110.782 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.59 -24.88 11.5 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.413 2.076 . . . . 0.0 112.395 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -100.43 107.13 46.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.009 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 -162.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.437 2.092 . . . . 0.0 112.18 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 16.5 mtt85 -126.86 121.68 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 0.7 OUTLIER -106.55 161.42 14.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 430' ' ' SER . 38.1 m-85 -152.45 99.27 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -91.24 -173.14 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -169.4 131.03 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 37.1 t -68.6 98.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.7 t -95.05 80.87 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.447 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.11 162.57 20.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 51.7 Cg_exo -53.72 -27.19 41.52 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -140.56 40.4 1.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 8.4 t -162.64 129.79 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.45 62.23 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.29 154.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -127.63 139.65 52.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.416 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 36.6 pttt -135.46 158.58 44.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -123.79 165.81 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.24 95.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.69 126.84 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.39 92.23 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -59.59 124.78 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.46 -21.89 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.296 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 2.3 p -50.76 -34.27 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.04 163.69 17.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.693 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.56 -30.84 29.4 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.474 2.116 . . . . 0.0 112.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.17 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -101.13 134.6 43.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.16 80.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.29 129.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.5 m -109.35 154.11 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.84 142.75 49.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -130.57 114.8 15.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.32 109.84 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 113.94 154.46 11.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 144.87 34.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.433 ' NE2' ' CE2' ' A' ' 412' ' ' TYR . 88.8 m-70 -67.08 148.35 52.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -128.72 40.76 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -162.18 166.26 25.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.72 151.5 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 4.7 mp -60.8 134.3 92.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.21 -178.6 2.59 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.401 2.068 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.052 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.903 0.382 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.84 92.05 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 2.5 p -113.2 -34.46 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 69.4 p -134.63 -179.17 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 8.1 t -116.49 119.86 36.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.16 111.45 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 5.9 m -66.58 97.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -175.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.83 117.1 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.8 mt -88.72 126.6 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.94 91.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.42 -74.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -89.28 -70.88 1.25 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -131.55 173.21 11.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -89.12 96.53 10.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -102.22 171.2 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -157.81 143.15 16.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.52 127.76 34.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.21 -34.21 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -162.23 178.31 38.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -169.4 170.61 8.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.366 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 -175.38 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.91 142.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 128.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 112.45 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.17 -29.01 10.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -101.84 139.9 20.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.642 0.258 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.42 -33.84 5.1 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.492 2.128 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -76.39 120.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.59 165.34 32.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.317 2.011 . . . . 0.0 112.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 155.1 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.0 m -136.62 135.35 38.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -121.29 124.44 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -123.71 175.51 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -166.04 134.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 19.9 t -73.34 93.98 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 t -92.18 71.16 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.08 163.28 18.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.83 89.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.539 2.16 . . . . 0.0 112.272 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.2 -26.98 22.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 49.1 t -85.89 134.12 33.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.98 62.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.564 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 35.4 t -90.65 149.15 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 0.0 111.107 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -128.56 149.48 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -143.42 154.38 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -124.74 120.52 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.5 t -100.41 100.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 138.34 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 117.68 34.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -81.39 118.65 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.38 37.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.307 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -41.2 61.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.917 0.389 . . . . 0.0 111.339 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.94 163.67 18.34 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.18 -27.87 23.94 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.27 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.95 76.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.24 147.27 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.68 96.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.67 127.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.225 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -111.87 159.43 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.0 m -141.19 100.13 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.5 137.49 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -137.84 102.23 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.53 148.49 7.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 136.45 42.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -66.05 135.15 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -109.71 31.4 5.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -148.24 169.0 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -78.59 149.93 32.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.28 122.94 73.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.42 -178.43 2.96 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.4 2.067 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.054 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.93 0.395 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.91 81.19 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 1.6 m -59.33 -27.3 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 16.3 p -69.96 131.28 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.3 m -84.95 141.23 30.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.96 118.63 21.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.9 121.11 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.37 177.4 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.66 84.48 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.2 tt -99.48 115.1 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -61.64 114.02 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -126.78 31.15 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 139.66 -26.4 2.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.491 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -155.06 156.12 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.5 108.44 20.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.688 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -107.66 167.52 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.32 131.65 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.89 139.76 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -128.04 -45.64 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.19 151.72 19.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.28 138.77 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.318 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -125.29 157.17 37.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.11 155.71 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 31.9 t -126.59 134.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.83 108.52 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.12 23.49 9.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.617 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -138.37 125.58 13.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.566 0.222 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.43 -18.68 25.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.362 2.041 . . . . 0.0 112.446 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.59 96.4 23.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.982 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.86 157.79 3.51 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.497 2.131 . . . . 0.0 112.283 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -78.62 145.53 34.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.58 123.75 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.43 139.85 40.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.0 -177.78 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.757 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 29.3 pttt -165.26 125.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.68 96.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.711 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 9.2 t -94.25 70.79 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.369 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.414 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.06 166.82 12.02 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.699 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 50.0 Cg_exo -53.93 88.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.374 2.049 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 100.05 -24.75 30.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 53.7 t -82.55 128.71 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.43 62.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.239 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 32.9 t -90.28 158.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.233 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -132.0 141.17 49.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -136.71 161.75 35.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -127.44 119.22 25.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.43 111.65 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -126.29 149.36 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -123.43 107.13 11.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -60.32 117.76 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.045 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.8 -49.58 10.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 6.3 p -55.1 -33.49 62.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.0 158.37 64.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.06 65.38 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.475 2.117 . . . . 0.0 112.256 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 78.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -108.23 134.21 51.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.84 94.7 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.1 p -96.68 125.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.5 m -131.76 123.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.2 m -109.6 146.88 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.19 167.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -157.66 91.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 135.01 -167.17 24.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -139.66 136.2 34.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -74.92 128.82 36.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -117.47 30.11 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -143.24 18.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.277 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 54.81 -178.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.867 0.365 . . . . 0.0 111.081 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.04 114.42 62.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.09 -170.41 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.442 2.095 . . . . 0.0 112.299 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.094 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.22 119.63 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 8.1 t -160.46 125.69 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.59 124.76 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 52.3 p -82.21 145.19 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -89.69 115.05 26.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 12.1 m -79.3 81.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -104.51 123.31 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.4 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 178.77 4.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.21 128.34 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.79 35.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 136.36 -79.04 0.32 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -107.81 175.91 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.96 95.92 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.419 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 63.4 m95 -98.98 164.15 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.62 153.98 30.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.03 128.87 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -112.08 -32.91 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -161.58 139.89 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -129.16 119.85 24.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -87.62 175.16 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.38 139.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -116.27 120.43 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -61.15 114.68 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 114.01 -27.8 8.86 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.33 132.98 37.63 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.08 -26.24 9.45 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.434 2.089 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -107.17 100.06 30.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.28 173.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.532 2.155 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -80.22 146.93 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 48.9 m -130.66 120.84 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.37 110.41 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -107.72 -175.77 2.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.05 135.06 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 9.2 t -73.89 92.25 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.713 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.4 t -93.3 71.0 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.401 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.93 22.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.762 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.401 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 55.2 Cg_exo -52.19 90.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.579 2.186 . . . . 0.0 112.178 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.09 -24.43 30.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 43.4 t -88.27 133.7 33.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.21 62.78 0.6 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.336 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 26.5 t -93.94 158.59 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.19 149.79 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.419 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 2.4 pttp -146.97 131.63 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -98.02 119.99 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.89 94.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.48 139.51 39.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -112.49 118.08 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -69.51 116.89 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.65 -45.84 10.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -36.99 72.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 158.08 77.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.753 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.28 66.2 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.576 2.184 . . . . 0.0 112.195 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.9 tttm 67.42 85.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.92 103.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.0 p -99.68 112.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.45 147.64 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.206 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.21 129.18 43.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -110.24 126.33 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -124.45 113.42 18.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.42 175.22 22.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.536 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -122.62 164.53 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -93.07 121.32 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.7 -27.03 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -90.45 163.88 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.11 -174.43 5.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.55 113.4 41.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.44 -178.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.46 2.107 . . . . 0.0 112.246 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.108 -179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -109.33 87.74 2.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 15.1 p -94.11 -32.44 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 31.6 m -138.36 102.98 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -97.11 39.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 28.4 t -92.0 82.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -103.31 130.91 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.3 120.77 19.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.88 78.7 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -87.1 145.06 26.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.14 87.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.784 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 106.52 -88.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.4 151.0 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 111.88 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 77.5 m95 -107.37 161.02 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.15 141.25 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 136.71 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.18 -46.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -135.97 171.49 22.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -167.37 132.26 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -105.64 157.39 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.32 134.94 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 26.9 t -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 128.07 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 99.31 -28.28 16.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.26 111.37 33.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.536 0.207 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 -14.2 41.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.601 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.69 94.23 19.07 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.98 169.66 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.556 2.171 . . . . 0.0 112.39 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -105.33 119.94 40.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 73.8 m -104.89 146.43 29.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -130.37 116.0 17.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -108.03 173.88 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.96 127.11 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.067 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 13.5 t -70.87 97.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -95.45 70.37 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.15 156.19 35.56 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 76.5 Cg_exo -50.22 98.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.556 2.171 . . . . 0.0 112.432 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.91 -25.3 27.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 36.6 t -92.52 135.09 34.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.76 62.02 0.6 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.192 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 25.5 t -87.39 158.92 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.292 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -140.22 142.06 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.413 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 14.2 pttt -141.3 143.26 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.35 116.22 28.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.31 106.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -121.29 135.14 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -98.77 124.07 43.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -70.37 108.11 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.59 -54.6 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 32.3 p -55.57 -45.98 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.26 158.46 64.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 66.56 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.209 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.59 81.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -125.15 160.84 28.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 102.25 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.41 147.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 5.3 m -144.83 147.38 32.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 17.7 m -129.7 112.59 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -95.06 145.67 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -142.54 111.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.51 23.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 166.19 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -89.1 139.25 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.71 33.73 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -153.86 153.26 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.37 158.56 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.99 109.74 2.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 -170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.049 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.808 0.337 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -107.63 128.23 54.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.67 -70.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -169.95 95.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.104 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.3 m -91.28 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.93 79.67 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 19.7 m -71.54 89.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.11 -31.5 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.405 HD21 ' CD2' ' A' ' 432' ' ' TYR . 40.0 mt -70.34 122.3 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -86.94 127.69 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.99 103.68 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -107.56 -33.55 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -178.57 -61.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -79.62 177.36 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -121.61 105.64 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.444 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 57.5 m95 -102.67 162.9 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -156.27 138.64 14.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.402 ' HD3' ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -68.21 146.77 53.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -138.72 -47.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -134.39 138.49 10.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.565 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.71 109.77 5.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.32 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.41 148.69 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.0 138.88 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -77.74 94.67 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 135.22 -49.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -75.85 134.49 71.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.518 0.199 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.69 -29.53 8.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.464 2.109 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -82.6 122.1 78.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 169.37 21.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.515 2.143 . . . . 0.0 112.22 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -108.53 104.56 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.5 m -98.74 144.57 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.58 135.18 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 407' ' ' LEU . 62.0 m-85 -116.43 178.97 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -166.27 130.6 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 6.7 t -66.35 98.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.42 69.04 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.02 158.74 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.6 89.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.439 2.093 . . . . 0.0 112.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.45 -27.18 19.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 52.4 t -85.89 128.4 34.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.79 62.96 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 442' ' ' ARG . 21.6 t -91.62 142.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.995 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.403 ' N ' HG11 ' A' ' 441' ' ' VAL . 74.3 mtt85 -125.18 132.47 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -129.33 157.57 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -125.82 143.35 51.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 23.0 t -124.99 84.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -84.9 153.2 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -127.97 97.16 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -67.52 130.91 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.82 23.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.335 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -51.62 -37.39 49.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 163.68 17.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.08 -28.08 23.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 76.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.99 126.49 36.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.9 t -127.87 85.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.54 141.2 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 23.9 m -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.39 132.04 44.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.4 123.58 49.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.07 119.79 31.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 106.01 165.65 23.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -115.57 157.87 23.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -81.38 142.88 32.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.5 31.26 6.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -153.71 143.65 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.57 159.56 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.73 112.24 9.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.8 -177.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.453 2.102 . . . . 0.0 112.426 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.045 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -109.38 155.84 20.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 82.4 p -148.73 94.61 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.57 91.24 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 84.0 p -100.09 31.58 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.56 100.12 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.39 68.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -107.03 -31.97 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.33 117.63 30.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 3.6 mp -86.02 95.88 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -59.81 113.66 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -124.72 -44.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -138.15 -68.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.419 ' CE1' HD22 ' A' ' 467' ' ' LEU . 13.4 m-85 -90.91 174.51 7.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -120.6 105.96 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -103.87 158.95 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.36 147.54 38.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.32 141.37 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 418' ' ' GLY . 54.4 p90 -127.18 -46.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 417' ' ' TYR . . . -144.86 175.84 24.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.91 142.44 33.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 431' ' ' TYR . 0.0 OUTLIER -112.65 169.33 8.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.89 146.5 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 19.7 t -125.59 117.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -65.83 115.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 120.47 -49.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.07 130.26 57.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.605 0.24 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.2 -29.53 11.47 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.441 2.094 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.6 122.57 86.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 162.76 40.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.39 2.06 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.43 122.7 42.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 74.1 m -107.36 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 13.8 m-85 -103.13 145.18 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -141.02 169.43 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 133.32 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 20.8 t -75.24 98.52 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -94.56 70.79 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.01 163.13 18.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.16 89.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.29 -28.0 17.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 53.4 t -85.05 134.36 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -137.2 62.93 0.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 28.8 t -86.65 155.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 111.036 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.46 120.93 13.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -117.7 160.78 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -123.3 124.23 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.28 112.53 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -133.82 141.51 47.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 12.5 mtt85 -103.98 121.86 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -76.51 119.93 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.38 -28.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.244 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 81.3 p -51.91 -31.99 30.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 157.41 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.89 -24.17 23.34 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.181 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -110.79 141.67 43.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.41 91.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.69 134.06 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 22.5 m -130.03 121.37 26.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.4 m -95.73 152.12 18.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -134.29 107.63 7.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -109.07 116.14 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 98.2 139.5 10.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -91.76 174.02 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -96.16 133.96 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -103.72 31.19 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -152.51 156.99 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.86 164.73 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 412' ' ' TYR . 3.8 mt -70.53 123.21 88.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.65 169.5 20.9 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.457 2.104 . . . . 0.0 112.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.136 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -79.81 98.69 7.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CH2' ' HD3' ' A' ' 443' ' ' LYS . 63.2 m95 -98.84 147.45 24.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -126.78 140.03 52.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -87.95 126.11 34.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -112.16 -34.63 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -170.48 148.39 11.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.589 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -124.52 163.93 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -130.35 144.74 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.11 151.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 424' ' ' GLY . 12.6 t -138.3 130.48 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -33.87 76.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 422' ' ' VAL . . . -74.94 -13.29 82.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.773 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -115.98 135.12 22.69 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 122.817 -0.225 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.53 -27.1 11.27 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.481 2.121 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -103.3 141.46 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.75 166.67 26.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -105.74 112.97 26.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.1 m -102.52 126.77 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -112.65 135.07 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -129.18 -174.47 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.07 128.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.17 98.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.05 69.25 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.268 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.805 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.01 163.47 18.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.805 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -52.76 91.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.48 19.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.606 ' SG ' HG23 ' A' ' 441' ' ' VAL . 49.3 t -83.84 125.71 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.73 63.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.424 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.606 HG23 ' SG ' ' A' ' 439' ' ' CYS . 29.8 t -89.74 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.37 123.19 38.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.424 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -118.73 150.36 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -119.19 124.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.27 97.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -118.26 147.87 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.04 121.51 41.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -73.67 111.52 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.73 -51.48 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -31.33 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.42 158.19 46.29 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.96 65.35 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.488 2.125 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.32 77.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -111.82 114.57 27.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 91.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 456' ' ' VAL . 11.7 p -89.65 114.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.4 m -120.95 125.87 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.54 119.01 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.11 100.02 11.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -88.45 100.98 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.39 166.06 14.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -122.9 142.25 51.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -66.64 155.07 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.87 31.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.328 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 110.55 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.451 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 28.0 m95 -108.01 165.22 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.14 144.32 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -73.9 158.87 33.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 53.1 p90 -155.82 -46.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 418' ' ' GLY . . . . . 0.422 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -129.02 165.46 21.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -159.11 122.11 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.0 149.44 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.14 152.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.04 128.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 133.62 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.14 -54.31 2.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -66.06 119.19 59.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.538 0.208 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.48 -0.21 10.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.495 2.13 . . . . 0.0 112.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -111.7 92.85 18.16 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -50.88 178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.505 2.137 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -115.79 130.92 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 15.5 m -109.5 151.56 26.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.08 120.71 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -118.81 173.45 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.404 ' HD3' ' CD2' ' A' ' 417' ' ' TYR . 10.3 pttm -162.14 131.45 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 111.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.451 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 38.7 t -64.65 101.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.596 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 435' ' ' THR . 8.8 t -97.41 77.67 2.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.621 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.917 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.3 OUTLIER -100.21 150.55 37.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.917 ' HD2' HG22 ' A' ' 436' ' ' THR . 87.6 Cg_exo -47.62 -27.03 7.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.503 2.135 . . . . 0.0 112.437 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -135.19 43.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.256 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.78 ' SG ' HG23 ' A' ' 441' ' ' VAL . 34.7 t -164.8 139.53 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.749 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.25 64.49 0.57 Allowed Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.78 HG23 ' SG ' ' A' ' 439' ' ' CYS . 25.2 t -90.33 141.84 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.731 0.301 . . . . 0.0 111.085 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -123.0 129.78 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -123.52 163.19 21.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.42 153.21 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.11 111.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.55 133.42 54.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.704 ' HG2' HG22 ' A' ' 455' ' ' VAL . 51.6 mtt85 -104.02 102.5 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.039 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -59.81 119.23 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.76 -23.61 24.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 55.3 p -52.92 -34.12 53.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 160.7 26.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.59 -27.45 25.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.541 2.161 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -176.65 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.039 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -107.09 137.59 44.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.704 HG22 ' HG2' ' A' ' 447' ' ' ARG . 21.6 t -140.77 104.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.09 144.02 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.03 155.94 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.23 154.41 50.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -133.56 117.23 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.86 115.83 25.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.14 150.27 21.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.45 153.19 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.39 136.86 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -104.43 30.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.0 p80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.508 ' HD3' HG23 ' A' ' 436' ' ' THR . 7.4 ptm180 -98.87 116.53 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.438 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 46.2 m95 -110.47 152.75 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 136.48 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -78.76 146.25 33.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 44.6 p90 -130.71 -46.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 418' ' ' GLY . . . . . 0.427 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.58 151.76 22.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.64 149.17 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -116.34 139.21 50.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.41 143.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.96 111.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.34 79.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.55 -30.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -98.85 139.79 21.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.64 0.257 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.29 -27.98 9.1 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.465 2.11 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -95.08 107.24 30.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.84 152.52 73.77 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.413 2.075 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -78.92 146.63 33.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.2 m -140.16 142.89 35.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -123.12 138.19 54.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.22 173.56 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.86 131.02 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.438 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 8.0 t -65.16 100.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 435' ' ' THR . 8.9 t -96.67 66.71 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.422 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.885 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.03 152.91 37.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.885 ' HD2' HG22 ' A' ' 436' ' ' THR . 74.6 Cg_exo -49.52 100.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.416 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.81 -23.56 34.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.603 ' SG ' HG23 ' A' ' 441' ' ' VAL . 40.5 t -96.82 125.44 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.9 63.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 439' ' ' CYS . 31.7 t -89.49 147.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.009 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 141.43 51.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -137.15 146.35 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -109.05 134.17 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 114.0 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.48 127.42 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 124.39 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -81.82 98.99 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.29 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 73.3 p -56.76 -33.4 66.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.417 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -79.57 158.36 73.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.08 66.63 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.5 2.133 . . . . 0.0 112.263 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt 63.73 81.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -127.5 155.98 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.52 105.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.5 130.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.86 140.61 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -125.71 143.79 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -129.6 115.66 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -117.48 110.3 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 119.92 152.1 8.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -112.26 147.43 36.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -65.9 144.84 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.0 21.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.636 ' CE1' HG21 ' A' ' 436' ' ' THR . 7.4 p80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.72 95.52 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 43.4 m95 -90.48 175.54 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.41 134.26 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -74.72 135.77 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.432 ' CD1' ' HG2' ' A' ' 433' ' ' LYS . 10.7 p90 -130.54 -46.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -125.41 147.9 16.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -143.01 146.1 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 156.24 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 421' ' ' VAL . 10.7 p -121.82 111.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 28.5 t -88.18 138.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.15 137.52 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 91.14 -48.68 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.28 129.47 77.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.08 -33.94 4.13 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.501 2.134 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -74.42 116.08 49.64 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.92 174.48 7.7 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.404 2.07 . . . . 0.0 112.213 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -114.9 106.85 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.3 m -98.75 137.53 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.18 103.68 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.8 164.57 13.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.432 ' HG2' ' CD1' ' A' ' 417' ' ' TYR . 0.0 OUTLIER -156.62 128.56 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.304 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.424 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 18.3 t -67.05 95.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 435' ' ' THR . 9.5 t -94.23 73.69 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.667 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.791 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.28 167.19 11.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.0 Cg_exo -54.08 88.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.355 2.037 . . . . 0.0 112.195 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.3 -24.36 30.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.717 ' SG ' HG23 ' A' ' 441' ' ' VAL . 50.9 t -87.55 138.93 31.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -140.92 55.06 0.62 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.717 HG23 ' SG ' ' A' ' 439' ' ' CYS . 24.8 t -78.24 150.59 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -129.31 152.78 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 6.8 pttt -151.63 131.94 13.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -102.22 119.64 39.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.36 97.24 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.61 127.07 55.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -100.72 111.44 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.052 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.14 119.35 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -85.47 -26.51 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -37.8 63.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.226 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.03 163.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.77 -34.49 44.7 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.531 2.154 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.02 79.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.052 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -104.22 146.5 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.43 104.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.16 131.36 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.6 m -128.67 145.95 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -134.33 111.72 10.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -88.36 145.32 25.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -141.43 120.02 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.34 139.32 10.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -95.63 154.1 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -78.07 140.02 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.6 29.64 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.02 93.06 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -97.3 155.55 16.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -140.08 127.25 21.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.17 127.83 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -117.77 -38.81 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -133.17 173.97 20.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.27 137.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 137.82 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.02 150.21 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.583 HG11 ' OD1' ' A' ' 425' ' ' ASN . 21.5 t -107.52 148.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -81.24 109.82 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.94 -49.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.583 ' OD1' HG11 ' A' ' 422' ' ' VAL . 24.8 m120 -67.62 122.76 84.75 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.559 0.219 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.21 -19.7 29.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.132 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.7 101.01 8.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.54 156.65 64.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.429 2.086 . . . . 0.0 112.204 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -85.68 149.19 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 149.12 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -127.37 132.15 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -135.77 168.3 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -157.1 131.67 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 12.1 t -67.3 98.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.0 t -99.53 72.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.267 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.827 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.12 162.37 21.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.761 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.827 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -55.3 86.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.428 2.086 . . . . 0.0 112.226 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.09 -27.08 12.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.662 ' SG ' HG23 ' A' ' 441' ' ' VAL . 52.5 t -89.28 135.58 33.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.13 59.24 0.65 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.662 HG23 ' SG ' ' A' ' 439' ' ' CYS . 33.8 t -89.44 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -129.9 147.57 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -144.22 161.27 39.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -131.47 119.74 22.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.11 125.8 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -137.15 119.28 15.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.537 ' HG2' HG22 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -104.74 104.11 13.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.921 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -62.94 120.22 10.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.47 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.407 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 30.9 p -51.65 -45.03 63.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.27 163.55 30.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.758 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.56 -28.52 22.18 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.595 2.196 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.76 79.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.921 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -103.36 132.92 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 447' ' ' ARG . 23.2 t -129.01 131.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.13 134.78 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.7 m -131.03 149.1 52.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -125.92 132.76 52.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -107.6 132.22 53.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.49 97.14 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 131.75 -161.36 23.73 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 138.48 22.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.75 140.97 32.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -123.69 31.15 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.3 p80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -110.73 86.58 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 68.7 m95 -87.12 170.11 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -158.35 128.92 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 127.24 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 52.6 p90 -110.81 -32.99 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -157.25 161.64 31.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -149.0 145.09 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -123.09 174.16 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.96 149.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 423' ' ' LYS . 28.5 t -106.4 155.26 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 422' ' ' VAL . 11.0 mttt -91.25 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.92 -48.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.595 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -66.87 130.07 93.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.453 0.168 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.5 -0.62 10.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.568 2.179 . . . . 0.0 112.806 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -111.43 94.19 21.73 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 -176.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.542 2.161 . . . . 0.0 112.306 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -106.01 145.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.5 m -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 27.4 m-85 -131.67 124.77 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -124.45 163.21 22.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.07 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 23.2 t -70.31 99.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.568 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.6 t -95.2 69.45 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.761 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.59 37.56 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.761 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.0 Cg_endo -53.1 91.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.142 . . . . 0.0 112.119 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.53 -25.99 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.364 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.695 ' SG ' HG23 ' A' ' 441' ' ' VAL . 42.5 t -98.64 130.07 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.91 64.63 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.695 HG23 ' SG ' ' A' ' 439' ' ' CYS . 33.4 t -88.85 156.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.229 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.46 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.0 OUTLIER -140.2 123.97 17.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 30.7 pttt -119.37 154.54 33.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -118.86 113.86 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.7 t -88.82 128.35 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.762 ' HB2' HG13 ' A' ' 456' ' ' VAL . 38.9 mt-10 -143.26 146.2 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -121.15 125.53 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.876 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -79.01 115.9 18.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.33 10.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 13.6 p -55.54 -35.7 65.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 158.49 72.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.3 65.98 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.504 2.136 . . . . 0.0 112.183 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 2.4 tttm 65.66 83.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.876 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -122.94 154.34 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.1 t -124.99 112.72 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.762 HG13 ' HB2' ' A' ' 446' ' ' GLU . 11.8 p -110.74 115.52 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 458' ' ' THR . 22.9 m -121.88 155.85 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 457' ' ' THR . 1.3 m -125.92 144.18 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -123.58 109.52 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -109.44 97.18 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.87 153.22 8.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.608 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.23 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.31 123.48 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -101.15 31.96 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 12.3 p80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -125.09 107.97 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.439 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 17.9 m95 -104.67 156.01 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.3 138.08 43.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.429 ' HD2' ' CE2' ' A' ' 432' ' ' TYR . 12.5 tttt -79.95 125.4 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.14 -36.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -146.67 168.98 27.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.575 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.94 143.9 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -125.15 141.75 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.05 131.79 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.29 118.52 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 146.79 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 82.74 -57.93 5.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.561 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.47 129.94 94.44 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.507 0.194 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.11 -28.79 8.7 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.47 2.113 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -95.21 108.72 40.59 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.08 173.72 8.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.401 2.067 . . . . 0.0 112.284 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -98.1 100.56 11.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 430' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 52.0 m -93.82 113.84 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -96.28 148.15 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.922 0.392 . . . . 0.0 110.989 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 51.7 m-85 -148.16 -178.39 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -167.13 133.76 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.439 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 19.3 t -67.43 101.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 24.6 p -97.43 69.1 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.341 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.768 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.18 37.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.1 Cg_endo -53.37 91.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.599 2.199 . . . . 0.0 112.018 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.21 14.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.727 ' SG ' HG23 ' A' ' 441' ' ' VAL . 42.8 t -99.47 128.63 45.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.07 63.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.245 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.727 HG23 ' SG ' ' A' ' 439' ' ' CYS . 32.2 t -91.56 154.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 0.0 111.322 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.43 ' N ' HG12 ' A' ' 441' ' ' VAL . 9.1 mtm-85 -130.46 153.84 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.782 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 17.0 pttt -149.53 166.76 28.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.978 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -136.04 140.08 43.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.48 120.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.49 108.89 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -84.95 109.33 18.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.77 111.06 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.72 6.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -34.84 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.433 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -77.04 158.49 80.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.42 65.13 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.505 2.137 . . . . 0.0 112.178 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.67 83.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -126.92 143.63 51.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.92 96.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 456' ' ' VAL . 12.0 p -94.13 124.51 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.9 m -124.45 119.34 28.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.94 153.64 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -131.76 131.02 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -124.0 106.95 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 99.65 149.02 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -92.83 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.05 30.62 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 85.16 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.415 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 65.9 m95 -94.49 169.43 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 151.18 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -95.2 131.73 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -112.86 -35.85 5.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -156.6 -177.35 29.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -159.64 145.33 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -177.69 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 422' ' ' VAL . 11.1 p -135.07 156.13 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.443 ' N ' HG22 ' A' ' 421' ' ' VAL . 20.1 t -141.5 139.87 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 132.77 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.65 -22.44 39.1 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.551 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.88 101.1 31.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.587 0.232 . . . . 0.0 110.78 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.99 -27.93 17.69 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.464 2.11 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.98 131.91 35.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.3 165.81 30.97 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -87.84 109.72 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 58.6 m -92.97 148.63 21.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -137.41 125.2 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.98 177.28 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 135.2 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.16 96.61 1.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 3.0 t -91.29 68.6 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.325 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -99.99 153.65 37.65 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 436' ' ' THR . 11.0 Cg_endo -54.3 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.626 2.217 . . . . 0.0 112.088 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.95 -24.86 25.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.407 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.716 ' SG ' HG23 ' A' ' 441' ' ' VAL . 41.8 t -99.56 118.55 36.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -120.44 64.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.716 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.3 t -87.14 154.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.425 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.0 OUTLIER -133.33 142.39 48.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 1.8 pttt -141.85 159.32 42.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.99 142.0 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.98 100.37 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.99 119.72 34.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.65 93.48 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.86 111.59 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.52 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.411 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 60.1 p -52.52 -42.3 64.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.97 162.91 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.754 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.52 -29.25 31.23 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 81.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -113.47 128.43 56.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.81 95.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.42 134.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.5 156.9 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 108.9 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -89.41 146.68 24.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -139.36 91.33 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.52 -176.32 17.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -135.17 143.33 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -84.33 139.46 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -141.95 38.73 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.0 p80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -92.74 104.33 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.421 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 78.1 m95 -103.76 158.02 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.71 138.23 23.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -83.11 133.07 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -113.5 -36.36 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -159.92 157.88 29.15 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -144.82 146.18 31.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -107.8 158.01 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -124.44 138.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.19 140.44 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 95.64 8.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 131.54 -35.59 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.33 121.64 84.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.545 0.212 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.21 -13.45 28.36 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.368 2.045 . . . . 0.0 112.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -112.55 90.74 15.3 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 151.4 15.13 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.476 2.117 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -86.25 154.24 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 430' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 71.4 m -144.55 157.98 43.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 430' ' ' SER . 14.0 m-85 -137.96 121.75 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.95 -177.9 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.84 132.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.24 102.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -98.26 70.41 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.537 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.939 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.17 151.29 37.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.939 ' HD2' HG22 ' A' ' 436' ' ' THR . 73.8 Cg_exo -48.78 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.369 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.4 -24.31 27.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.719 ' SG ' HG23 ' A' ' 441' ' ' VAL . 39.8 t -96.52 136.53 36.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -138.61 61.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.719 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.7 t -85.41 140.96 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -117.14 144.9 44.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 2.5 pttt -142.14 143.23 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.657 ' O ' HG23 ' A' ' 457' ' ' THR . 88.2 m-70 -110.82 148.84 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.799 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.55 102.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.662 ' O ' HG12 ' A' ' 456' ' ' VAL . 0.5 OUTLIER -113.1 113.83 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.432 ' HG3' HG13 ' A' ' 455' ' ' VAL . 0.6 OUTLIER -91.94 109.08 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.134 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -71.25 112.75 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.54 -30.86 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.1 t -55.2 -23.73 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.34 162.45 20.83 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -33.23 50.8 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.467 2.112 . . . . 0.0 112.105 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 179.96 75.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.73 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.134 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -104.83 135.9 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.432 HG13 ' HG3' ' A' ' 447' ' ' ARG . 24.4 t -134.98 84.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 446' ' ' GLU . 9.4 p -77.61 144.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 444' ' ' HIS . 21.0 m -143.78 129.43 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 22.6 m -104.71 146.99 28.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -120.95 128.41 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -127.73 117.89 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.73 174.42 22.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -130.96 157.02 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -86.94 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -125.82 30.85 5.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' A' ' 436' ' ' THR . 11.7 p80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 107.19 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.456 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 51.2 m95 -104.52 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.4 153.36 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.05 143.3 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -137.51 -46.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -137.63 159.0 24.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.423 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.43 149.11 29.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -123.68 -177.15 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 422' ' ' VAL . 10.1 p -132.42 155.74 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 421' ' ' VAL . 16.4 t -124.92 144.97 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 108.13 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 113.69 -42.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -74.7 140.23 74.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.675 0.274 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.71 -41.27 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.68 113.02 46.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.92 -169.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.457 2.105 . . . . 0.0 112.271 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.445 ' HD2' HG22 ' A' ' 422' ' ' VAL . 4.9 mtt180 -119.14 110.23 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 9.5 m -99.46 159.62 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -140.33 118.21 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -110.7 177.47 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -162.54 127.71 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.456 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 14.6 t -66.97 95.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 435' ' ' THR . 10.1 t -93.51 70.06 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.191 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.831 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 161.36 24.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.831 ' HD2' HG22 ' A' ' 436' ' ' THR . 69.8 Cg_exo -51.31 90.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.529 2.153 . . . . 0.0 112.253 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 101.28 -25.97 26.26 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.541 ' SG ' HG23 ' A' ' 441' ' ' VAL . 48.8 t -85.99 132.28 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.84 64.05 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.541 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.7 t -93.85 141.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 121.86 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.43 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -117.04 163.3 16.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -130.56 125.23 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.08 118.7 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.038 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.545 ' HB2' HG13 ' A' ' 456' ' ' VAL . 3.5 mt-10 -126.15 133.46 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -107.51 117.91 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -84.28 123.23 29.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.46 -24.09 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.54 57.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.248 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.0 162.38 21.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.54 -29.36 31.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.489 2.126 . . . . 0.0 112.298 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -177.07 76.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -98.78 133.15 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.47 82.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.545 HG13 ' HB2' ' A' ' 446' ' ' GLU . 10.5 p -81.25 119.28 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 3.8 m -112.66 143.72 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 120.45 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.34 128.11 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -126.26 105.27 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 114.1 155.42 11.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -102.47 155.42 18.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.41 113.46 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -69.99 -25.39 63.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.75 106.31 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CD2' ' HD3' ' A' ' 443' ' ' LYS . 8.3 m95 -99.25 144.85 27.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.788 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -120.51 143.09 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -79.58 144.47 33.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.72 -47.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -121.47 160.8 15.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.69 150.29 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.02 169.12 16.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.66 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.52 142.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 130.78 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 96.38 -32.64 6.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.31 111.82 45.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.532 0.206 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.5 -13.24 38.47 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.426 2.084 . . . . 0.0 112.541 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.74 94.31 19.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.22 175.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.575 2.183 . . . . 0.0 112.289 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -104.17 133.35 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.7 m -121.07 154.07 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -128.18 137.86 52.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -124.75 171.7 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 435' ' ' THR . 0.1 OUTLIER -154.67 128.97 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.39 103.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.691 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 433' ' ' LYS . 29.9 p -99.82 70.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.828 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.85 22.89 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.8 Cg_exo -52.58 89.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.247 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.87 -25.09 28.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 441' ' ' VAL . 51.9 t -85.6 131.81 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -134.38 62.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.599 HG23 ' SG ' ' A' ' 439' ' ' CYS . 29.5 t -92.04 154.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 441' ' ' VAL . 20.8 mtm180 -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.436 ' HD3' ' CD2' ' A' ' 414' ' ' TRP . 2.4 ptmm? -140.91 159.86 41.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.47 122.81 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.737 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.48 136.91 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -142.16 136.08 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -100.12 89.57 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.03 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -60.14 117.72 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.55 -24.11 24.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.291 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 74.9 p -51.73 -38.31 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 111.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 163.61 18.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.42 -29.81 25.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.534 2.156 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.91 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.03 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -100.26 130.97 46.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.57 93.55 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.92 127.49 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 4.5 m -127.14 146.28 50.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -129.81 145.18 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -113.16 143.68 43.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.38 87.38 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.85 165.49 12.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 152.9 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -85.47 146.45 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -127.21 29.97 5.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.604 ' CE1' HG21 ' A' ' 436' ' ' THR . 12.9 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -81.25 96.92 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 66.7 m95 -98.51 158.75 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 151.61 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -94.1 131.94 39.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -126.49 -45.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.45 155.27 21.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.91 125.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 178.56 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -123.51 137.12 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 429' ' ' ARG . 21.6 t -89.19 155.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 422' ' ' VAL . 12.0 mmtm -98.07 89.63 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 129.37 -31.8 3.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.528 ' OD1' ' HB3' ' A' ' 449' ' ' ALA . 2.3 m-80 -89.11 112.1 49.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.831 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.87 -41.74 54.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.489 2.126 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -75.02 113.05 20.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.06 -167.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.432 2.088 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 422' ' ' VAL . 1.0 OUTLIER -123.31 132.67 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.5 m -124.54 151.08 45.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -139.74 103.2 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -96.39 -179.31 4.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.03 122.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 45.9 t -65.06 101.74 0.55 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.6 t -98.41 80.5 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.299 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.843 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 164.15 17.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.843 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.1 Cg_exo -54.32 -30.8 64.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.499 2.132 . . . . 0.0 112.464 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -136.83 38.98 1.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.412 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.768 ' SG ' HG23 ' A' ' 441' ' ' VAL . 32.8 t -162.1 131.7 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -131.98 64.92 0.6 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.768 HG23 ' SG ' ' A' ' 439' ' ' CYS . 23.3 t -83.61 142.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -120.24 124.42 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.43 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 13.1 pttp -123.24 132.85 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -102.92 129.26 49.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.67 107.02 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -117.82 114.38 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -94.46 103.63 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.939 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.39 110.53 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.528 ' HB3' ' OD1' ' A' ' 425' ' ' ASN . . . -85.75 -47.93 9.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 21.0 p -56.84 -31.57 64.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.58 158.22 66.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.91 68.07 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.493 2.129 . . . . 0.0 112.276 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 63.19 83.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.939 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -124.99 135.45 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.38 95.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.0 p -96.47 133.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.8 123.38 38.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 93.97 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -79.51 96.88 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -95.07 115.32 27.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 110.34 -170.61 14.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -145.6 147.39 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.61 114.02 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -98.26 35.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 13.2 p80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.447 ' CD ' HG23 ' A' ' 436' ' ' THR . 4.9 mtt-85 -97.62 98.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -103.3 157.47 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -149.76 131.97 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -72.3 150.54 43.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.013 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.1 p90 -138.52 -46.5 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 418' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -143.58 124.86 2.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.11 154.91 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -128.56 134.39 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.27 148.53 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.68 119.21 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 129.08 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.42 -27.96 17.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -91.21 129.5 43.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.501 0.191 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 -17.98 19.3 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.515 2.143 . . . . 0.0 112.546 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -110.95 94.69 21.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 -174.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -116.7 144.27 44.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 48.8 m -134.28 142.17 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.79 135.7 52.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -132.79 176.5 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -157.74 130.49 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.79 93.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 435' ' ' THR . 9.6 t -92.58 68.03 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.816 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -98.83 161.61 24.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.816 ' HD2' HG22 ' A' ' 436' ' ' THR . 61.0 Cg_exo -51.89 90.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.481 2.121 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.01 -26.98 22.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 441' ' ' VAL . 28.8 t -84.05 127.97 34.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.991 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -129.29 62.53 0.64 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.0 t -93.21 151.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -129.37 132.07 46.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -124.92 155.52 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -131.2 108.35 9.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.45 113.34 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -129.35 143.82 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 108.12 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.007 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -74.92 131.12 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.39 -22.26 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.14 -39.84 57.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.827 0.346 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.01 160.39 27.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.83 -26.79 14.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -177.17 77.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.007 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -92.04 109.06 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.28 89.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.1 p -98.88 129.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 16.3 m -128.73 138.69 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 150.62 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -136.7 122.7 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -119.42 102.05 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 112.96 136.52 6.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -90.24 155.42 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.54 133.68 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -123.23 33.87 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' CE2' ' NE2' ' A' ' 463' ' ' HIS . 8.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -102.87 93.18 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.404 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 82.4 m95 -96.6 159.34 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -154.44 129.91 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -81.68 151.56 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.4 p90 -133.29 -46.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.89 -172.62 13.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.595 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -167.81 165.61 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -124.99 156.59 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.82 137.91 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.427 HG21 ' NH1' ' A' ' 429' ' ' ARG . 20.7 t -121.73 126.97 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 122.13 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 111.18 -41.02 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.57 132.65 48.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 110.782 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.59 -24.88 11.5 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.413 2.076 . . . . 0.0 112.395 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -100.43 107.13 46.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.009 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 -162.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.437 2.092 . . . . 0.0 112.18 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.427 ' NH1' HG21 ' A' ' 422' ' ' VAL . 16.5 mtt85 -126.86 121.68 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 430' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 0.7 OUTLIER -106.55 161.42 14.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 430' ' ' SER . 38.1 m-85 -152.45 99.27 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -91.24 -173.14 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -169.4 131.03 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 37.1 t -68.6 98.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.7 t -95.05 80.87 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.447 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.91 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.11 162.57 20.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.91 ' HD2' HG22 ' A' ' 436' ' ' THR . 51.7 Cg_exo -53.72 -27.19 41.52 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -140.56 40.4 1.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.777 ' SG ' HG23 ' A' ' 441' ' ' VAL . 8.4 t -162.64 129.79 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.45 62.23 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.777 HG23 ' SG ' ' A' ' 439' ' ' CYS . 40.2 t -81.29 154.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 441' ' ' VAL . 3.2 mtt180 -127.63 139.65 52.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.404 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 36.6 pttt -135.46 158.58 44.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -123.79 165.81 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.24 95.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.69 126.84 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.424 ' HG3' HG13 ' A' ' 455' ' ' VAL . 1.0 OUTLIER -107.39 92.23 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -59.59 124.78 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.46 -21.89 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.296 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 2.3 p -50.76 -34.27 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.04 163.69 17.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.693 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.56 -30.84 29.4 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.474 2.116 . . . . 0.0 112.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.17 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -101.13 134.6 43.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.424 HG13 ' HG3' ' A' ' 447' ' ' ARG . 22.0 t -134.16 80.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.29 129.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.5 m -109.35 154.11 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.84 142.75 49.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -130.57 114.8 15.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.32 109.84 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 113.94 154.46 11.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 144.87 34.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.433 ' NE2' ' CE2' ' A' ' 412' ' ' TYR . 88.8 m-70 -67.08 148.35 52.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -128.72 40.76 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.548 ' CE1' HG21 ' A' ' 436' ' ' THR . 8.8 p80 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -89.12 96.53 10.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -102.22 171.2 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -157.81 143.15 16.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.52 127.76 34.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.21 -34.21 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -162.23 178.31 38.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -169.4 170.61 8.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.366 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 -175.38 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.91 142.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 128.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 112.45 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.17 -29.01 10.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -101.84 139.9 20.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.642 0.258 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.42 -33.84 5.1 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.492 2.128 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -76.39 120.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.59 165.34 32.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.317 2.011 . . . . 0.0 112.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 155.1 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.0 m -136.62 135.35 38.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -121.29 124.44 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -123.71 175.51 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -166.04 134.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 19.9 t -73.34 93.98 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 435' ' ' THR . 9.2 t -92.18 71.16 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.777 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.08 163.28 18.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.777 ' HD2' HG22 ' A' ' 436' ' ' THR . 52.4 Cg_exo -52.83 89.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.539 2.16 . . . . 0.0 112.272 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.2 -26.98 22.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.6 ' SG ' HG23 ' A' ' 441' ' ' VAL . 49.1 t -85.89 134.12 33.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.98 62.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.564 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.6 HG23 ' SG ' ' A' ' 439' ' ' CYS . 35.4 t -90.65 149.15 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 0.0 111.107 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -128.56 149.48 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -143.42 154.38 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -124.74 120.52 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.5 t -100.41 100.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 138.34 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 117.68 34.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.071 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -81.39 118.65 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.38 37.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.307 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -41.2 61.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.917 0.389 . . . . 0.0 111.339 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.94 163.67 18.34 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.18 -27.87 23.94 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.27 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.95 76.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.071 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -96.24 147.27 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.68 96.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.67 127.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.225 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -111.87 159.43 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.0 m -141.19 100.13 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.5 137.49 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -137.84 102.23 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.53 148.49 7.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 136.45 42.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -66.05 135.15 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -109.71 31.4 5.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.5 108.44 20.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.688 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -107.66 167.52 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.32 131.65 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.89 139.76 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -128.04 -45.64 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.19 151.72 19.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.28 138.77 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.318 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -125.29 157.17 37.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 422' ' ' VAL . 11.2 p -104.11 155.71 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.44 ' N ' HG22 ' A' ' 421' ' ' VAL . 31.9 t -126.59 134.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.83 108.52 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.12 23.49 9.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.617 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -138.37 125.58 13.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.566 0.222 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.43 -18.68 25.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.362 2.041 . . . . 0.0 112.446 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.59 96.4 23.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.982 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.86 157.79 3.51 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.497 2.131 . . . . 0.0 112.283 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -78.62 145.53 34.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.58 123.75 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.43 139.85 40.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.0 -177.78 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.757 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 29.3 pttt -165.26 125.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.68 96.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.711 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 435' ' ' THR . 9.2 t -94.25 70.79 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.369 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.785 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.06 166.82 12.02 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.699 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.0 Cg_exo -53.93 88.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.374 2.049 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 100.05 -24.75 30.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.661 ' SG ' HG23 ' A' ' 441' ' ' VAL . 53.7 t -82.55 128.71 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.43 62.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.239 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.661 HG23 ' SG ' ' A' ' 439' ' ' CYS . 32.9 t -90.28 158.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.233 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.491 ' N ' HG12 ' A' ' 441' ' ' VAL . 6.3 mmt85 -132.0 141.17 49.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -136.71 161.75 35.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -127.44 119.22 25.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.43 111.65 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.523 ' HB2' HG13 ' A' ' 456' ' ' VAL . 2.3 mt-10 -126.29 149.36 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -123.43 107.13 11.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.044 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -60.32 117.76 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.8 -49.58 10.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 6.3 p -55.1 -33.49 62.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.0 158.37 64.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.06 65.38 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.475 2.117 . . . . 0.0 112.256 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 78.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.044 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -108.23 134.21 51.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.84 94.7 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 446' ' ' GLU . 12.1 p -96.68 125.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.5 m -131.76 123.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.2 m -109.6 146.88 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.19 167.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -157.66 91.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 135.01 -167.17 24.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -139.66 136.2 34.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -74.92 128.82 36.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -117.47 30.11 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.71 ' CE1' HG21 ' A' ' 436' ' ' THR . 13.9 p80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.277 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.96 95.92 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.415 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 63.4 m95 -98.98 164.15 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.62 153.98 30.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.03 128.87 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -112.08 -32.91 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -161.58 139.89 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -129.16 119.85 24.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -87.62 175.16 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.38 139.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -116.27 120.43 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -61.15 114.68 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 114.01 -27.8 8.86 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.33 132.98 37.63 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.08 -26.24 9.45 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.434 2.089 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -107.17 100.06 30.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.28 173.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.532 2.155 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -80.22 146.93 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' SER . . . . . 0.417 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 48.9 m -130.66 120.84 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.37 110.41 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 59.7 m-85 -107.72 -175.77 2.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.05 135.06 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 9.2 t -73.89 92.25 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.713 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.4 t -93.3 71.0 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.815 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.93 22.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.762 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.815 ' HD2' HG22 ' A' ' 436' ' ' THR . 55.2 Cg_exo -52.19 90.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.579 2.186 . . . . 0.0 112.178 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.09 -24.43 30.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.564 ' SG ' HG23 ' A' ' 441' ' ' VAL . 43.4 t -88.27 133.7 33.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.21 62.78 0.6 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.336 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.564 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.5 t -93.94 158.59 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.488 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.3 OUTLIER -134.19 149.79 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 2.4 pttp -146.97 131.63 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -98.02 119.99 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.89 94.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.48 139.51 39.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -112.49 118.08 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -69.51 116.89 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.65 -45.84 10.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -36.99 72.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 158.08 77.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.753 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.28 66.2 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.576 2.184 . . . . 0.0 112.195 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.9 tttm 67.42 85.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.92 103.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 456' ' ' VAL . 11.0 p -99.68 112.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.45 147.64 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.206 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.21 129.18 43.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -110.24 126.33 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -124.45 113.42 18.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.42 175.22 22.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.536 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -122.62 164.53 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -93.07 121.32 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.7 -27.03 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 111.88 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 77.5 m95 -107.37 161.02 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.15 141.25 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 136.71 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.18 -46.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -135.97 171.49 22.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -167.37 132.26 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -105.64 157.39 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.32 134.94 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.401 HG21 ' CZ ' ' A' ' 429' ' ' ARG . 26.9 t -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 128.07 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 99.31 -28.28 16.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.26 111.37 33.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.536 0.207 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 -14.2 41.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.601 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.69 94.23 19.07 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.98 169.66 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.556 2.171 . . . . 0.0 112.39 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.401 ' CZ ' HG21 ' A' ' 422' ' ' VAL . 58.2 mtt180 -105.33 119.94 40.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 73.8 m -104.89 146.43 29.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -130.37 116.0 17.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -108.03 173.88 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.96 127.11 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.067 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 13.5 t -70.87 97.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -95.45 70.37 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.94 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.15 156.19 35.56 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.94 ' HD2' HG22 ' A' ' 436' ' ' THR . 76.5 Cg_exo -50.22 98.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.556 2.171 . . . . 0.0 112.432 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.91 -25.3 27.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.716 ' SG ' HG23 ' A' ' 441' ' ' VAL . 36.6 t -92.52 135.09 34.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.76 62.02 0.6 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.192 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.716 HG23 ' SG ' ' A' ' 439' ' ' CYS . 25.5 t -87.39 158.92 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.292 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 441' ' ' VAL . 15.3 mtm180 -140.22 142.06 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.429 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 14.2 pttt -141.3 143.26 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.35 116.22 28.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.31 106.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.477 ' HB2' HG13 ' A' ' 456' ' ' VAL . 9.1 mt-10 -121.29 135.14 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -98.77 124.07 43.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -70.37 108.11 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.59 -54.6 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 32.3 p -55.57 -45.98 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.512 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -64.26 158.46 64.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 66.56 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.209 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.59 81.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -125.15 160.84 28.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 102.25 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 446' ' ' GLU . 9.8 p -95.41 147.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 5.3 m -144.83 147.38 32.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 17.7 m -129.7 112.59 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -95.06 145.67 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -142.54 111.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.51 23.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 166.19 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -89.1 139.25 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.71 33.73 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' A' ' 436' ' ' THR . 5.9 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -121.61 105.64 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.444 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 57.5 m95 -102.67 162.9 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -156.27 138.64 14.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.422 ' HD3' ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -68.21 146.77 53.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -138.72 -47.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -134.39 138.49 10.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.565 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.71 109.77 5.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.32 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.41 148.69 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.0 138.88 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -77.74 94.67 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 135.22 -49.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -75.85 134.49 71.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.518 0.199 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.69 -29.53 8.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.464 2.109 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -82.6 122.1 78.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 169.37 21.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.515 2.143 . . . . 0.0 112.22 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -108.53 104.56 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.5 m -98.74 144.57 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.58 135.18 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.422 ' CE2' ' HD3' ' A' ' 416' ' ' LYS . 62.0 m-85 -116.43 178.97 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -166.27 130.6 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 6.7 t -66.35 98.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.42 69.04 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.866 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.02 158.74 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.866 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -52.6 89.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.439 2.093 . . . . 0.0 112.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.45 -27.18 19.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.691 ' SG ' HG23 ' A' ' 441' ' ' VAL . 52.4 t -85.89 128.4 34.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.79 62.96 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.691 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.6 t -91.62 142.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.995 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -125.18 132.47 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -129.33 157.57 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -125.82 143.35 51.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 23.0 t -124.99 84.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -84.9 153.2 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -127.97 97.16 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -67.52 130.91 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.82 23.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.335 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -51.62 -37.39 49.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 163.68 17.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.08 -28.08 23.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 76.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -90.99 126.49 36.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.9 t -127.87 85.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.54 141.2 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 23.9 m -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.39 132.04 44.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.4 123.58 49.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.07 119.79 31.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 106.01 165.65 23.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -115.57 157.87 23.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -81.38 142.88 32.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.5 31.26 6.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 436' ' ' THR . 6.1 p80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -120.6 105.96 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -103.87 158.95 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.36 147.54 38.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.32 141.37 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 418' ' ' GLY . 54.4 p90 -127.18 -46.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 417' ' ' TYR . . . -144.86 175.84 24.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.91 142.44 33.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 431' ' ' TYR . 0.0 OUTLIER -112.65 169.33 8.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.89 146.5 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 19.7 t -125.59 117.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -65.83 115.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 120.47 -49.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.07 130.26 57.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.605 0.24 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.2 -29.53 11.47 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.441 2.094 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.6 122.57 86.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 162.76 40.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.39 2.06 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.43 122.7 42.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 74.1 m -107.36 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 13.8 m-85 -103.13 145.18 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -141.02 169.43 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 133.32 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 20.8 t -75.24 98.52 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -94.56 70.79 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.01 163.13 18.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 436' ' ' THR . 51.6 Cg_exo -53.16 89.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.29 -28.0 17.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.63 ' SG ' HG23 ' A' ' 441' ' ' VAL . 53.4 t -85.05 134.36 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -137.2 62.93 0.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.63 HG23 ' SG ' ' A' ' 439' ' ' CYS . 28.8 t -86.65 155.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 111.036 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.444 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.1 OUTLIER -141.46 120.93 13.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -117.7 160.78 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -123.3 124.23 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.28 112.53 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -133.82 141.51 47.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.42 ' HG2' HG13 ' A' ' 455' ' ' VAL . 12.5 mtt85 -103.98 121.86 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 1.008 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -76.51 119.93 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.38 -28.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.244 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 81.3 p -51.91 -31.99 30.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 157.41 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.89 -24.17 23.34 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.181 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 1.008 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -110.79 141.67 43.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.42 HG13 ' HG2' ' A' ' 447' ' ' ARG . 21.5 t -137.41 91.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.69 134.06 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 22.5 m -130.03 121.37 26.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.4 m -95.73 152.12 18.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -134.29 107.63 7.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -109.07 116.14 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 98.2 139.5 10.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -91.76 174.02 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -96.16 133.96 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -103.72 31.19 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.0 p80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 399' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 399' ' ' VAL . 34.1 m . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.885 0.374 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -147.94 78.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.81 28.97 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 34.2 p -140.37 39.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 84.3 p -113.57 121.2 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -87.77 125.86 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 17.1 m -90.31 179.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.26 125.2 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 407' ' ' LEU . 0.2 OUTLIER -76.4 123.23 25.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 408' ' ' LEU . 5.1 mp -63.08 92.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.74 146.4 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -144.66 31.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 127.82 -68.93 0.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.9 147.34 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -79.81 98.69 7.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CH2' ' HD3' ' A' ' 443' ' ' LYS . 63.2 m95 -98.84 147.45 24.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -126.78 140.03 52.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -87.95 126.11 34.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -112.16 -34.63 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -170.48 148.39 11.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.589 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -124.52 163.93 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -130.35 144.74 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.11 151.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 424' ' ' GLY . 12.6 t -138.3 130.48 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -33.87 76.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 422' ' ' VAL . . . -74.94 -13.29 82.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.773 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -115.98 135.12 22.69 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 122.817 -0.225 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.53 -27.1 11.27 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.481 2.121 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -103.3 141.46 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.75 166.67 26.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -105.74 112.97 26.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.1 m -102.52 126.77 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -112.65 135.07 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -129.18 -174.47 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.07 128.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.17 98.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.05 69.25 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.268 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.805 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.01 163.47 18.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.805 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -52.76 91.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.48 19.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.606 ' SG ' HG23 ' A' ' 441' ' ' VAL . 49.3 t -83.84 125.71 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.73 63.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.424 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.606 HG23 ' SG ' ' A' ' 439' ' ' CYS . 29.8 t -89.74 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.37 123.19 38.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.424 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -118.73 150.36 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -119.19 124.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.27 97.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -118.26 147.87 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.04 121.51 41.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -73.67 111.52 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.73 -51.48 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -31.33 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.42 158.19 46.29 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.96 65.35 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.488 2.125 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.32 77.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -111.82 114.57 27.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 91.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 456' ' ' VAL . 11.7 p -89.65 114.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.4 m -120.95 125.87 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.54 119.01 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.11 100.02 11.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -88.45 100.98 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.39 166.06 14.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -122.9 142.25 51.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -66.64 155.07 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.87 31.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -140.51 16.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.328 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 57.34 176.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.16 126.96 70.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.95 172.78 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 112.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.173 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 400' ' ' GLN . . . . . 0.415 ' O ' HG23 ' A' ' 401' ' ' THR . 0.0 OUTLIER -155.63 136.42 13.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 400' ' ' GLN . 0.7 OUTLIER -158.71 106.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.1 96.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 35.4 p -133.86 90.37 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -98.49 98.9 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 6.1 m -96.94 116.51 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -109.88 -31.43 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 432' ' ' TYR . 21.2 mt -98.64 118.22 34.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 107.99 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -86.98 140.66 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.63 35.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 148.02 -67.46 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -103.81 150.61 23.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 110.55 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.451 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 28.0 m95 -108.01 165.22 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.14 144.32 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -73.9 158.87 33.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 53.1 p90 -155.82 -46.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.422 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -129.02 165.46 21.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -159.11 122.11 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.0 149.44 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.14 152.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.04 128.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 133.62 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.14 -54.31 2.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -66.06 119.19 59.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.538 0.208 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.48 -0.21 10.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.495 2.13 . . . . 0.0 112.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -111.7 92.85 18.16 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -50.88 178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.505 2.137 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -115.79 130.92 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 15.5 m -109.5 151.56 26.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.08 120.71 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.416 ' CD2' HD21 ' A' ' 407' ' ' LEU . 19.5 m-85 -118.81 173.45 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.404 ' HD3' ' CD2' ' A' ' 417' ' ' TYR . 10.3 pttm -162.14 131.45 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 111.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.451 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 38.7 t -64.65 101.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.596 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 435' ' ' THR . 8.8 t -97.41 77.67 2.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.621 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.917 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.3 OUTLIER -100.21 150.55 37.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.917 ' HD2' HG22 ' A' ' 436' ' ' THR . 87.6 Cg_exo -47.62 -27.03 7.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.503 2.135 . . . . 0.0 112.437 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -135.19 43.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.256 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.78 ' SG ' HG23 ' A' ' 441' ' ' VAL . 34.7 t -164.8 139.53 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.749 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.25 64.49 0.57 Allowed Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.78 HG23 ' SG ' ' A' ' 439' ' ' CYS . 25.2 t -90.33 141.84 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.731 0.301 . . . . 0.0 111.085 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -123.0 129.78 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -123.52 163.19 21.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.42 153.21 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.11 111.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.55 133.42 54.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.704 ' HG2' HG22 ' A' ' 455' ' ' VAL . 51.6 mtt85 -104.02 102.5 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.039 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -59.81 119.23 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.76 -23.61 24.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 55.3 p -52.92 -34.12 53.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 160.7 26.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.59 -27.45 25.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.541 2.161 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -176.65 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.039 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -107.09 137.59 44.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.704 HG22 ' HG2' ' A' ' 447' ' ' ARG . 21.6 t -140.77 104.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.09 144.02 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.03 155.94 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.23 154.41 50.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -133.56 117.23 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.86 115.83 25.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.14 150.27 21.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.45 153.19 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.39 136.86 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -104.43 30.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -153.17 164.75 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -73.16 -173.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.823 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.7 mp -94.88 110.15 48.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.21 -168.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.4 2.067 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 399' ' ' VAL . . . . . 0.648 HG12 HG22 ' A' ' 401' ' ' THR . 21.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.749 0.309 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -78.6 79.98 5.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.648 HG22 HG12 ' A' ' 399' ' ' VAL . 6.1 t -143.51 165.02 28.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.04 102.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -84.12 114.19 21.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.23 131.61 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -90.95 46.68 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 44.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.6 mt -97.11 39.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -73.83 142.63 46.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.808 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 412' ' ' TYR . 71.9 m-20 59.94 30.5 20.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 59.38 22.38 56.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.591 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 410' ' ' ASP . 46.3 m-85 -119.16 142.87 47.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.508 ' HD3' HG23 ' A' ' 436' ' ' THR . 7.4 ptm180 -98.87 116.53 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.438 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 46.2 m95 -110.47 152.75 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 136.48 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -78.76 146.25 33.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 44.6 p90 -130.71 -46.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.427 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.58 151.76 22.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.64 149.17 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -116.34 139.21 50.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.41 143.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.96 111.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.34 79.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.55 -30.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -98.85 139.79 21.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.64 0.257 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.29 -27.98 9.1 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.465 2.11 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -95.08 107.24 30.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.84 152.52 73.77 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.413 2.075 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -78.92 146.63 33.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.2 m -140.16 142.89 35.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -123.12 138.19 54.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.22 173.56 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.86 131.02 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.438 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 8.0 t -65.16 100.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 435' ' ' THR . 8.9 t -96.67 66.71 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.422 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.885 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.03 152.91 37.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.885 ' HD2' HG22 ' A' ' 436' ' ' THR . 74.6 Cg_exo -49.52 100.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.416 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.81 -23.56 34.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.603 ' SG ' HG23 ' A' ' 441' ' ' VAL . 40.5 t -96.82 125.44 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.9 63.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 439' ' ' CYS . 31.7 t -89.49 147.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.009 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 141.43 51.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -137.15 146.35 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -109.05 134.17 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 114.0 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.48 127.42 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 124.39 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -81.82 98.99 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.29 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 73.3 p -56.76 -33.4 66.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.417 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -79.57 158.36 73.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.08 66.63 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.5 2.133 . . . . 0.0 112.263 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt 63.73 81.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -127.5 155.98 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.52 105.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.5 130.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.86 140.61 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -125.71 143.79 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -129.6 115.66 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -117.48 110.3 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 119.92 152.1 8.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -112.26 147.43 36.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -65.9 144.84 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.0 21.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.636 ' CE1' HG21 ' A' ' 436' ' ' THR . 7.4 p80 -139.55 13.13 2.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 50.46 -176.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.833 0.349 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.0 113.33 34.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 170.37 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.446 2.098 . . . . 0.0 112.383 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.148 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 399' ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' ' 399' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.52 88.51 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 401' ' ' THR . 6.1 t -95.05 79.71 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.085 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 2.9 p -89.64 108.11 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 11.3 m -110.5 34.17 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.21 92.79 7.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 115.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.055 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.45 149.42 40.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.784 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 432' ' ' TYR . 4.8 mt -62.71 97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.1 tt -86.23 122.52 30.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -85.38 117.55 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -144.27 -60.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -108.32 -60.11 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -110.1 161.65 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.72 95.52 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 43.4 m95 -90.48 175.54 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.41 134.26 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -74.72 135.77 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.432 ' CD1' ' HG2' ' A' ' 433' ' ' LYS . 10.7 p90 -130.54 -46.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -125.41 147.9 16.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -143.01 146.1 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 156.24 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 421' ' ' VAL . 10.7 p -121.82 111.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 28.5 t -88.18 138.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.15 137.52 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 91.14 -48.68 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.28 129.47 77.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.08 -33.94 4.13 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.501 2.134 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -74.42 116.08 49.64 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.92 174.48 7.7 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.404 2.07 . . . . 0.0 112.213 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -114.9 106.85 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.3 m -98.75 137.53 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.18 103.68 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.461 ' CD1' HD21 ' A' ' 407' ' ' LEU . 82.2 m-85 -92.8 164.57 13.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.432 ' HG2' ' CD1' ' A' ' 417' ' ' TYR . 0.0 OUTLIER -156.62 128.56 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.304 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.424 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 18.3 t -67.05 95.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 435' ' ' THR . 9.5 t -94.23 73.69 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.667 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.791 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.28 167.19 11.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.0 Cg_exo -54.08 88.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.355 2.037 . . . . 0.0 112.195 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.3 -24.36 30.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.717 ' SG ' HG23 ' A' ' 441' ' ' VAL . 50.9 t -87.55 138.93 31.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -140.92 55.06 0.62 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.717 HG23 ' SG ' ' A' ' 439' ' ' CYS . 24.8 t -78.24 150.59 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -129.31 152.78 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 6.8 pttt -151.63 131.94 13.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -102.22 119.64 39.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.36 97.24 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.61 127.07 55.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -100.72 111.44 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.052 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.14 119.35 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -85.47 -26.51 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -37.8 63.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.226 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.03 163.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.77 -34.49 44.7 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.531 2.154 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.02 79.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.052 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -104.22 146.5 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.43 104.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.16 131.36 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.6 m -128.67 145.95 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -134.33 111.72 10.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -88.36 145.32 25.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -141.43 120.02 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.34 139.32 10.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -95.63 154.1 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -78.07 140.02 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.6 29.64 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -141.81 139.18 32.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.69 146.65 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.65 124.6 87.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.09 165.29 32.88 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.468 2.112 . . . . 0.0 112.264 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.12 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 399' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 399' ' ' VAL . 11.5 p . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.834 0.35 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.88 94.88 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 20.7 p -120.45 152.03 38.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 34.0 p -96.28 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 6.3 m -108.04 93.39 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 105.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 405' ' ' VAL . 23.4 m -59.96 107.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -83.18 -32.67 26.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.12 93.08 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.8 127.94 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.53 103.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 85.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 145.56 -83.02 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -127.37 161.04 29.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.02 93.06 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -97.3 155.55 16.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -140.08 127.25 21.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.17 127.83 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -117.77 -38.81 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -133.17 173.97 20.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.27 137.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 137.82 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.02 150.21 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.583 HG11 ' OD1' ' A' ' 425' ' ' ASN . 21.5 t -107.52 148.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -81.24 109.82 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.94 -49.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.583 ' OD1' HG11 ' A' ' 422' ' ' VAL . 24.8 m120 -67.62 122.76 84.75 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.559 0.219 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.21 -19.7 29.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.132 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.7 101.01 8.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.54 156.65 64.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.429 2.086 . . . . 0.0 112.204 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -85.68 149.19 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 149.12 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -127.37 132.15 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -135.77 168.3 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -157.1 131.67 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 12.1 t -67.3 98.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.0 t -99.53 72.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.267 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.827 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.12 162.37 21.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.761 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.827 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -55.3 86.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.428 2.086 . . . . 0.0 112.226 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.09 -27.08 12.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.662 ' SG ' HG23 ' A' ' 441' ' ' VAL . 52.5 t -89.28 135.58 33.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.13 59.24 0.65 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.662 HG23 ' SG ' ' A' ' 439' ' ' CYS . 33.8 t -89.44 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -129.9 147.57 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -144.22 161.27 39.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -131.47 119.74 22.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.11 125.8 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -137.15 119.28 15.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.537 ' HG2' HG22 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -104.74 104.11 13.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.921 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -62.94 120.22 10.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.47 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.407 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 30.9 p -51.65 -45.03 63.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.27 163.55 30.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.758 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.56 -28.52 22.18 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.595 2.196 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.76 79.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.921 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -103.36 132.92 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 447' ' ' ARG . 23.2 t -129.01 131.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.13 134.78 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.7 m -131.03 149.1 52.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -125.92 132.76 52.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -107.6 132.22 53.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.49 97.14 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 131.75 -161.36 23.73 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 138.48 22.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.75 140.97 32.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -123.69 31.15 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -146.3 157.67 43.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -59.54 177.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 2.1 mp -100.0 106.72 42.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.88 -175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.449 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.116 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -93.7 151.42 19.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 34.7 p -65.99 -31.97 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.9 p -96.91 144.1 27.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.04 123.66 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.69 114.45 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 405' ' ' VAL . 9.2 m -80.97 99.35 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -84.8 117.95 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.727 HD21 ' CE1' ' A' ' 432' ' ' TYR . 0.3 OUTLIER -67.15 104.2 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.16 89.67 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.22 163.97 20.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -138.31 84.14 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 160.39 -46.41 0.41 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -111.25 163.55 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -110.73 86.58 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 68.7 m95 -87.12 170.11 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -158.35 128.92 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 127.24 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 52.6 p90 -110.81 -32.99 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -157.25 161.64 31.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -149.0 145.09 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -123.09 174.16 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.96 149.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 423' ' ' LYS . 28.5 t -106.4 155.26 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 422' ' ' VAL . 11.0 mttt -91.25 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.92 -48.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.595 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -66.87 130.07 93.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.453 0.168 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.5 -0.62 10.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.568 2.179 . . . . 0.0 112.806 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -111.43 94.19 21.73 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 -176.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.542 2.161 . . . . 0.0 112.306 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -106.01 145.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.5 m -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 27.4 m-85 -131.67 124.77 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.727 ' CE1' HD21 ' A' ' 407' ' ' LEU . 46.3 m-85 -124.45 163.21 22.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.07 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 23.2 t -70.31 99.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.568 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.6 t -95.2 69.45 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.761 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.59 37.56 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.761 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.0 Cg_endo -53.1 91.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.142 . . . . 0.0 112.119 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.53 -25.99 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.364 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.695 ' SG ' HG23 ' A' ' 441' ' ' VAL . 42.5 t -98.64 130.07 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.91 64.63 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.695 HG23 ' SG ' ' A' ' 439' ' ' CYS . 33.4 t -88.85 156.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.229 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.46 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.0 OUTLIER -140.2 123.97 17.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 30.7 pttt -119.37 154.54 33.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -118.86 113.86 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.7 t -88.82 128.35 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.762 ' HB2' HG13 ' A' ' 456' ' ' VAL . 38.9 mt-10 -143.26 146.2 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -121.15 125.53 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.876 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -79.01 115.9 18.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.33 10.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 13.6 p -55.54 -35.7 65.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 158.49 72.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.3 65.98 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.504 2.136 . . . . 0.0 112.183 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 2.4 tttm 65.66 83.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.876 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -122.94 154.34 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.1 t -124.99 112.72 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.762 HG13 ' HB2' ' A' ' 446' ' ' GLU . 11.8 p -110.74 115.52 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 458' ' ' THR . 22.9 m -121.88 155.85 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 457' ' ' THR . 1.3 m -125.92 144.18 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -123.58 109.52 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -109.44 97.18 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.87 153.22 8.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.608 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.23 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.31 123.48 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -101.15 31.96 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -148.41 148.56 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.04 145.87 49.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.81 110.43 2.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.35 -165.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.47 2.113 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.054 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -110.2 31.42 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.433 HG23 HG23 ' A' ' 402' ' ' THR . 9.8 t -89.32 -30.67 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' THR . . . . . 0.433 HG23 HG23 ' A' ' 401' ' ' THR . 65.8 p -140.41 135.16 31.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 19.4 m -147.28 96.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -90.33 83.89 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.55 122.69 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -131.27 168.52 17.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.91 88.17 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 4.2 mt -93.07 129.73 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -98.56 -172.23 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.12 -41.23 10.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -113.08 -69.39 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.55 166.9 22.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -125.09 107.97 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.439 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 17.9 m95 -104.67 156.01 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.3 138.08 43.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.429 ' HD2' ' CE2' ' A' ' 432' ' ' TYR . 12.5 tttt -79.95 125.4 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.14 -36.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -146.67 168.98 27.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.575 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.94 143.9 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -125.15 141.75 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.05 131.79 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.29 118.52 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 146.79 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 82.74 -57.93 5.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.561 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.47 129.94 94.44 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.507 0.194 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.11 -28.79 8.7 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.47 2.113 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -95.21 108.72 40.59 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.08 173.72 8.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.401 2.067 . . . . 0.0 112.284 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -98.1 100.56 11.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 52.0 m -93.82 113.84 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -96.28 148.15 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.922 0.392 . . . . 0.0 110.989 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 51.7 m-85 -148.16 -178.39 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -167.13 133.76 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.439 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 19.3 t -67.43 101.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 24.6 p -97.43 69.1 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.341 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.768 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.18 37.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.1 Cg_endo -53.37 91.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.599 2.199 . . . . 0.0 112.018 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.21 14.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.727 ' SG ' HG23 ' A' ' 441' ' ' VAL . 42.8 t -99.47 128.63 45.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.07 63.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.245 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.727 HG23 ' SG ' ' A' ' 439' ' ' CYS . 32.2 t -91.56 154.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 0.0 111.322 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.43 ' N ' HG12 ' A' ' 441' ' ' VAL . 9.1 mtm-85 -130.46 153.84 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.782 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 17.0 pttt -149.53 166.76 28.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.978 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -136.04 140.08 43.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.48 120.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.49 108.89 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -84.95 109.33 18.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.77 111.06 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.72 6.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -34.84 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.433 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -77.04 158.49 80.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.42 65.13 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.505 2.137 . . . . 0.0 112.178 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.67 83.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -126.92 143.63 51.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.92 96.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 456' ' ' VAL . 12.0 p -94.13 124.51 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.9 m -124.45 119.34 28.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.94 153.64 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -131.76 131.02 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -124.0 106.95 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 99.65 149.02 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -92.83 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.05 30.62 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -148.82 155.83 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.8 -173.99 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.5 mp -92.01 111.29 49.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 -168.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.364 2.043 . . . . 0.0 112.219 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.107 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -155.02 119.79 4.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 9.8 p -62.44 134.78 56.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 6.8 m -126.8 110.13 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.53 172.11 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.07 173.94 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.779 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.1 127.55 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.5 163.91 23.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 432' ' ' TYR . 3.1 mt -95.62 85.93 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.3 mp -100.0 -178.37 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.15 84.38 3.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -125.94 -48.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -112.31 -80.53 1.05 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.427 ' CE2' ' CD2' ' A' ' 463' ' ' HIS . 10.6 m-85 -129.28 178.39 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 85.16 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.415 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 65.9 m95 -94.49 169.43 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 151.18 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -95.2 131.73 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -112.86 -35.85 5.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -156.6 -177.35 29.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -159.64 145.33 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -177.69 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 422' ' ' VAL . 11.1 p -135.07 156.13 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.443 ' N ' HG22 ' A' ' 421' ' ' VAL . 20.1 t -141.5 139.87 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 132.77 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.65 -22.44 39.1 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.551 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.88 101.1 31.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.587 0.232 . . . . 0.0 110.78 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.99 -27.93 17.69 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.464 2.11 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.98 131.91 35.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.3 165.81 30.97 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -87.84 109.72 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 58.6 m -92.97 148.63 21.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -137.41 125.2 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.44 ' CD2' HD21 ' A' ' 407' ' ' LEU . 41.6 m-85 -118.98 177.28 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 135.2 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.16 96.61 1.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 3.0 t -91.29 68.6 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.325 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -99.99 153.65 37.65 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 436' ' ' THR . 11.0 Cg_endo -54.3 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.626 2.217 . . . . 0.0 112.088 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.95 -24.86 25.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.407 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.716 ' SG ' HG23 ' A' ' 441' ' ' VAL . 41.8 t -99.56 118.55 36.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -120.44 64.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.716 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.3 t -87.14 154.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.425 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.0 OUTLIER -133.33 142.39 48.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 1.8 pttt -141.85 159.32 42.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.99 142.0 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.98 100.37 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.99 119.72 34.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.65 93.48 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.86 111.59 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.52 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.411 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 60.1 p -52.52 -42.3 64.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.97 162.91 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.754 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.52 -29.25 31.23 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 81.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -113.47 128.43 56.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.81 95.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.42 134.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.5 156.9 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 108.9 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -89.41 146.68 24.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -139.36 91.33 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.52 -176.32 17.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -135.17 143.33 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.427 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 97.8 m-70 -84.33 139.46 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -141.95 38.73 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -134.67 168.65 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -83.82 158.97 21.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.22 138.25 78.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.88 161.04 47.46 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.442 2.095 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.103 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.89 0.376 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -89.62 152.92 21.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.84 97.33 7.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.9 t -108.93 124.51 50.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -38.26 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -100.08 116.61 32.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 405' ' ' VAL . 11.4 p -97.72 112.67 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.067 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -91.09 -71.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 414' ' ' TRP . 0.3 OUTLIER -89.31 109.91 20.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.872 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.439 ' H ' HD23 ' A' ' 408' ' ' LEU . 0.4 OUTLIER -90.47 -178.24 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -92.44 123.47 35.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.99 -45.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 179.64 -50.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -104.51 159.71 15.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -92.74 104.33 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.443 ' HB2' HD21 ' A' ' 407' ' ' LEU . 78.1 m95 -103.76 158.02 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.71 138.23 23.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -83.11 133.07 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -113.5 -36.36 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -159.92 157.88 29.15 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -144.82 146.18 31.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -107.8 158.01 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -124.44 138.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.19 140.44 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 95.64 8.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 131.54 -35.59 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.33 121.64 84.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.545 0.212 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.21 -13.45 28.36 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.368 2.045 . . . . 0.0 112.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -112.55 90.74 15.3 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 151.4 15.13 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.476 2.117 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -86.25 154.24 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 71.4 m -144.55 157.98 43.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 430' ' ' SER . 14.0 m-85 -137.96 121.75 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.95 -177.9 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.84 132.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.24 102.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -98.26 70.41 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.537 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.939 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.17 151.29 37.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.939 ' HD2' HG22 ' A' ' 436' ' ' THR . 73.8 Cg_exo -48.78 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.369 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.4 -24.31 27.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.719 ' SG ' HG23 ' A' ' 441' ' ' VAL . 39.8 t -96.52 136.53 36.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -138.61 61.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.719 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.7 t -85.41 140.96 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -117.14 144.9 44.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 2.5 pttt -142.14 143.23 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.657 ' O ' HG23 ' A' ' 457' ' ' THR . 88.2 m-70 -110.82 148.84 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.799 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.55 102.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.662 ' O ' HG12 ' A' ' 456' ' ' VAL . 0.5 OUTLIER -113.1 113.83 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.432 ' HG3' HG13 ' A' ' 455' ' ' VAL . 0.6 OUTLIER -91.94 109.08 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.134 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -71.25 112.75 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.54 -30.86 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.1 t -55.2 -23.73 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.34 162.45 20.83 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -33.23 50.8 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.467 2.112 . . . . 0.0 112.105 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 179.96 75.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.73 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.134 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -104.83 135.9 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.432 HG13 ' HG3' ' A' ' 447' ' ' ARG . 24.4 t -134.98 84.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 446' ' ' GLU . 9.4 p -77.61 144.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 444' ' ' HIS . 21.0 m -143.78 129.43 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 22.6 m -104.71 146.99 28.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -120.95 128.41 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -127.73 117.89 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.73 174.42 22.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -130.96 157.02 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -86.94 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -125.82 30.85 5.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' A' ' 436' ' ' THR . 11.7 p80 -142.21 156.66 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.89 162.43 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.11 113.22 36.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.89 -178.05 3.26 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.432 2.088 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.08 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 399' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 399' ' ' VAL . 14.8 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -135.75 84.17 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 402' ' ' THR . 2.8 p -110.35 30.55 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 401' ' ' THR . 0.9 OUTLIER -167.34 -64.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 54.7 p -115.41 147.51 40.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 97.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 405' ' ' VAL . 14.4 p -81.83 121.34 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -101.56 -31.61 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.479 HD23 ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -81.37 104.39 11.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 112.25 24.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -76.45 112.1 12.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.35 -40.35 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -161.12 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -84.68 159.45 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 107.19 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.456 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 51.2 m95 -104.52 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.4 153.36 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.05 143.3 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -137.51 -46.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -137.63 159.0 24.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.423 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.43 149.11 29.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -123.68 -177.15 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 422' ' ' VAL . 10.1 p -132.42 155.74 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 421' ' ' VAL . 16.4 t -124.92 144.97 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 108.13 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 113.69 -42.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -74.7 140.23 74.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.675 0.274 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.71 -41.27 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.68 113.02 46.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.92 -169.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.457 2.105 . . . . 0.0 112.271 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.445 ' HD2' HG22 ' A' ' 422' ' ' VAL . 4.9 mtt180 -119.14 110.23 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 9.5 m -99.46 159.62 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -140.33 118.21 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.479 ' CE2' HD23 ' A' ' 407' ' ' LEU . 28.2 m-85 -110.7 177.47 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -162.54 127.71 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.456 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 14.6 t -66.97 95.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 435' ' ' THR . 10.1 t -93.51 70.06 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.191 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.831 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 161.36 24.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.831 ' HD2' HG22 ' A' ' 436' ' ' THR . 69.8 Cg_exo -51.31 90.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.529 2.153 . . . . 0.0 112.253 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 101.28 -25.97 26.26 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.541 ' SG ' HG23 ' A' ' 441' ' ' VAL . 48.8 t -85.99 132.28 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.84 64.05 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.541 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.7 t -93.85 141.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 121.86 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.43 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -117.04 163.3 16.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -130.56 125.23 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.08 118.7 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.038 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.545 ' HB2' HG13 ' A' ' 456' ' ' VAL . 3.5 mt-10 -126.15 133.46 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -107.51 117.91 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -84.28 123.23 29.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.46 -24.09 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.54 57.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.248 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.0 162.38 21.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.54 -29.36 31.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.489 2.126 . . . . 0.0 112.298 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -177.07 76.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -98.78 133.15 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.47 82.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.545 HG13 ' HB2' ' A' ' 446' ' ' GLU . 10.5 p -81.25 119.28 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 3.8 m -112.66 143.72 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 120.45 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.34 128.11 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -126.26 105.27 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 114.1 155.42 11.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -102.47 155.42 18.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.41 113.46 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -69.99 -25.39 63.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -94.06 129.9 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.42 169.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.125 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.51 111.79 6.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.64 176.74 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.486 2.124 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.096 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 86.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 401' ' ' THR . 9.4 t -100.52 117.53 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 101.85 5.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.1 p -80.21 139.28 36.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.16 110.3 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 4.5 m -83.39 119.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -111.24 126.86 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 432' ' ' TYR . 1.1 mm? -91.53 129.57 37.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 36.6 mt -88.0 54.4 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -176.17 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -113.69 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 146.02 -53.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.53 139.31 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.75 106.31 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CD2' ' HD3' ' A' ' 443' ' ' LYS . 8.3 m95 -99.25 144.85 27.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.788 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -120.51 143.09 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -79.58 144.47 33.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.72 -47.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -121.47 160.8 15.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.69 150.29 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.02 169.12 16.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.66 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.52 142.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 130.78 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 96.38 -32.64 6.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.31 111.82 45.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.532 0.206 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.5 -13.24 38.47 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.426 2.084 . . . . 0.0 112.541 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.74 94.31 19.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.22 175.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.575 2.183 . . . . 0.0 112.289 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -104.17 133.35 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.7 m -121.07 154.07 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -128.18 137.86 52.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 407' ' ' LEU . 42.7 m-85 -124.75 171.7 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 435' ' ' THR . 0.1 OUTLIER -154.67 128.97 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.39 103.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.691 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 433' ' ' LYS . 29.9 p -99.82 70.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.828 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.85 22.89 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.8 Cg_exo -52.58 89.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.247 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.87 -25.09 28.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 441' ' ' VAL . 51.9 t -85.6 131.81 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -134.38 62.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.599 HG23 ' SG ' ' A' ' 439' ' ' CYS . 29.5 t -92.04 154.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 441' ' ' VAL . 20.8 mtm180 -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.436 ' HD3' ' CD2' ' A' ' 414' ' ' TRP . 2.4 ptmm? -140.91 159.86 41.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.47 122.81 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.737 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.48 136.91 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -142.16 136.08 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -100.12 89.57 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.03 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -60.14 117.72 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.55 -24.11 24.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.291 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 74.9 p -51.73 -38.31 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 111.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 163.61 18.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.42 -29.81 25.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.534 2.156 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.91 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.03 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -100.26 130.97 46.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.57 93.55 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.92 127.49 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 4.5 m -127.14 146.28 50.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -129.81 145.18 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -113.16 143.68 43.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.38 87.38 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.85 165.49 12.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 152.9 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -85.47 146.45 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -127.21 29.97 5.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.604 ' CE1' HG21 ' A' ' 436' ' ' THR . 12.9 p80 -144.88 139.35 27.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.01 165.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.74 113.57 21.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.07 177.72 7.42 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.524 2.149 . . . . 0.0 112.395 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.051 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.849 0.357 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -157.76 90.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 33.6 p -99.24 177.79 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 2.0 m -152.48 127.51 9.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 8.1 m -113.57 147.18 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -65.93 100.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 6.6 m -71.45 117.81 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.1 54.87 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 407' ' ' LEU . 0.2 OUTLIER -99.09 39.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.84 121.95 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.97 119.09 7.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 31.29 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 178.23 -70.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.411 ' OH ' HD21 ' A' ' 467' ' ' LEU . 55.2 m-85 -128.02 154.83 45.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -81.25 96.92 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 66.7 m95 -98.51 158.75 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 151.61 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -94.1 131.94 39.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -126.49 -45.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.45 155.27 21.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.91 125.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 178.56 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -123.51 137.12 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 429' ' ' ARG . 21.6 t -89.19 155.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 422' ' ' VAL . 12.0 mmtm -98.07 89.63 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 129.37 -31.8 3.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.528 ' OD1' ' HB3' ' A' ' 449' ' ' ALA . 2.3 m-80 -89.11 112.1 49.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.831 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.87 -41.74 54.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.489 2.126 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -75.02 113.05 20.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.06 -167.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.432 2.088 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 422' ' ' VAL . 1.0 OUTLIER -123.31 132.67 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.5 m -124.54 151.08 45.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -139.74 103.2 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -96.39 -179.31 4.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.03 122.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 45.9 t -65.06 101.74 0.55 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.6 t -98.41 80.5 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.299 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.843 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 164.15 17.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.843 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.1 Cg_exo -54.32 -30.8 64.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.499 2.132 . . . . 0.0 112.464 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -136.83 38.98 1.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.412 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.768 ' SG ' HG23 ' A' ' 441' ' ' VAL . 32.8 t -162.1 131.7 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -131.98 64.92 0.6 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.768 HG23 ' SG ' ' A' ' 439' ' ' CYS . 23.3 t -83.61 142.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -120.24 124.42 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.43 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 13.1 pttp -123.24 132.85 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -102.92 129.26 49.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.67 107.02 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -117.82 114.38 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -94.46 103.63 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.939 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.39 110.53 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.528 ' HB3' ' OD1' ' A' ' 425' ' ' ASN . . . -85.75 -47.93 9.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 21.0 p -56.84 -31.57 64.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.58 158.22 66.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.91 68.07 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.493 2.129 . . . . 0.0 112.276 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 63.19 83.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.939 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -124.99 135.45 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.38 95.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.0 p -96.47 133.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.8 123.38 38.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 93.97 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -79.51 96.88 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -95.07 115.32 27.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 110.34 -170.61 14.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -145.6 147.39 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.61 114.02 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -98.26 35.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -148.31 143.77 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 153.48 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.792 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.411 HD21 ' OH ' ' A' ' 412' ' ' TYR . 12.8 mt -62.28 127.48 89.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.73 178.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.405 2.07 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.079 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -107.45 141.36 38.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 402' ' ' THR . 0.2 OUTLIER -153.24 168.4 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 402' ' ' THR . . . . . 0.454 ' H ' HG22 ' A' ' 401' ' ' THR . 0.2 OUTLIER -84.87 -67.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 53.0 p -106.83 142.4 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -90.72 51.58 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 12.1 m -85.7 66.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.48 -31.51 21.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 88.68 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.1 tp -81.62 108.8 15.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -79.59 83.56 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.61 -48.32 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -85.72 -63.36 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -135.83 172.83 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.447 ' CD ' HG23 ' A' ' 436' ' ' THR . 4.9 mtt-85 -97.62 98.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -103.3 157.47 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -149.76 131.97 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -72.3 150.54 43.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.013 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.1 p90 -138.52 -46.5 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -143.58 124.86 2.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.11 154.91 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -128.56 134.39 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.27 148.53 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.68 119.21 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 129.08 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.42 -27.96 17.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -91.21 129.5 43.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.501 0.191 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 -17.98 19.3 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.515 2.143 . . . . 0.0 112.546 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -110.95 94.69 21.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 -174.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -116.7 144.27 44.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 48.8 m -134.28 142.17 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.79 135.7 52.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -132.79 176.5 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -157.74 130.49 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.79 93.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 435' ' ' THR . 9.6 t -92.58 68.03 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.816 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -98.83 161.61 24.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.816 ' HD2' HG22 ' A' ' 436' ' ' THR . 61.0 Cg_exo -51.89 90.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.481 2.121 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.01 -26.98 22.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 441' ' ' VAL . 28.8 t -84.05 127.97 34.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.991 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -129.29 62.53 0.64 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.0 t -93.21 151.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -129.37 132.07 46.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -124.92 155.52 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -131.2 108.35 9.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.45 113.34 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -129.35 143.82 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 108.12 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.007 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -74.92 131.12 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.39 -22.26 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.14 -39.84 57.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.827 0.346 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.01 160.39 27.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.83 -26.79 14.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -177.17 77.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.007 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -92.04 109.06 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.28 89.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.1 p -98.88 129.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 16.3 m -128.73 138.69 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 150.62 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -136.7 122.7 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -119.42 102.05 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 112.96 136.52 6.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -90.24 155.42 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.54 133.68 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -123.23 33.87 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -135.73 158.01 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.67 158.27 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.75 113.37 20.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.03 -178.95 2.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.459 2.106 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.111 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.743 0.306 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -119.48 101.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.506 HG23 ' O ' ' A' ' 401' ' ' THR . 4.0 t -83.61 85.51 7.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 13.7 p -115.24 154.87 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 24.2 t -74.72 100.49 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.58 91.97 8.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 405' ' ' VAL . 12.1 p -89.49 112.73 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.93 123.98 26.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.15 110.92 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 408' ' ' LEU . 0.2 OUTLIER -64.83 122.11 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.75 110.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -112.78 -169.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -96.94 28.83 12.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' CE2' ' NE2' ' A' ' 463' ' ' HIS . 8.6 m-85 -154.93 175.22 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -102.87 93.18 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.404 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 82.4 m95 -96.6 159.34 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -154.44 129.91 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -81.68 151.56 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.4 p90 -133.29 -46.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.89 -172.62 13.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.595 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -167.81 165.61 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -124.99 156.59 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.82 137.91 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.427 HG21 ' NH1' ' A' ' 429' ' ' ARG . 20.7 t -121.73 126.97 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 122.13 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 111.18 -41.02 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.57 132.65 48.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 110.782 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.59 -24.88 11.5 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.413 2.076 . . . . 0.0 112.395 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -100.43 107.13 46.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.009 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 -162.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.437 2.092 . . . . 0.0 112.18 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.427 ' NH1' HG21 ' A' ' 422' ' ' VAL . 16.5 mtt85 -126.86 121.68 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 0.7 OUTLIER -106.55 161.42 14.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 430' ' ' SER . 38.1 m-85 -152.45 99.27 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -91.24 -173.14 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -169.4 131.03 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 37.1 t -68.6 98.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.7 t -95.05 80.87 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.447 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.91 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.11 162.57 20.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.91 ' HD2' HG22 ' A' ' 436' ' ' THR . 51.7 Cg_exo -53.72 -27.19 41.52 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -140.56 40.4 1.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.777 ' SG ' HG23 ' A' ' 441' ' ' VAL . 8.4 t -162.64 129.79 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.45 62.23 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.777 HG23 ' SG ' ' A' ' 439' ' ' CYS . 40.2 t -81.29 154.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 441' ' ' VAL . 3.2 mtt180 -127.63 139.65 52.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.404 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 36.6 pttt -135.46 158.58 44.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -123.79 165.81 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.24 95.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.69 126.84 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.424 ' HG3' HG13 ' A' ' 455' ' ' VAL . 1.0 OUTLIER -107.39 92.23 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -59.59 124.78 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.46 -21.89 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.296 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 2.3 p -50.76 -34.27 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.04 163.69 17.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.693 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.56 -30.84 29.4 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.474 2.116 . . . . 0.0 112.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.17 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -101.13 134.6 43.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.424 HG13 ' HG3' ' A' ' 447' ' ' ARG . 22.0 t -134.16 80.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.29 129.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.5 m -109.35 154.11 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.84 142.75 49.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -130.57 114.8 15.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.32 109.84 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 113.94 154.46 11.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 144.87 34.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.433 ' NE2' ' CE2' ' A' ' 412' ' ' TYR . 88.8 m-70 -67.08 148.35 52.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -128.72 40.76 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.548 ' CE1' HG21 ' A' ' 436' ' ' THR . 8.8 p80 -162.18 166.26 25.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.72 151.5 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.422 ' H ' HD12 ' A' ' 467' ' ' LEU . 4.7 mp -60.8 134.3 92.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.21 -178.6 2.59 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.401 2.068 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.052 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.903 0.382 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.84 92.05 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 2.5 p -113.2 -34.46 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 69.4 p -134.63 -179.17 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 8.1 t -116.49 119.86 36.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.16 111.45 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 405' ' ' VAL . 5.9 m -66.58 97.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -175.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.83 117.1 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.8 mt -88.72 126.6 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.94 91.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.42 -74.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -89.28 -70.88 1.25 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -131.55 173.21 11.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -89.12 96.53 10.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -102.22 171.2 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -157.81 143.15 16.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.52 127.76 34.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.21 -34.21 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -162.23 178.31 38.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -169.4 170.61 8.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.366 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 -175.38 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.91 142.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 128.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 112.45 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.17 -29.01 10.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -101.84 139.9 20.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.642 0.258 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.42 -33.84 5.1 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.492 2.128 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -76.39 120.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.59 165.34 32.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.317 2.011 . . . . 0.0 112.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 155.1 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.0 m -136.62 135.35 38.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -121.29 124.44 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -123.71 175.51 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -166.04 134.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 19.9 t -73.34 93.98 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 435' ' ' THR . 9.2 t -92.18 71.16 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.777 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.08 163.28 18.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.777 ' HD2' HG22 ' A' ' 436' ' ' THR . 52.4 Cg_exo -52.83 89.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.539 2.16 . . . . 0.0 112.272 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.2 -26.98 22.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.6 ' SG ' HG23 ' A' ' 441' ' ' VAL . 49.1 t -85.89 134.12 33.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.98 62.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.564 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.6 HG23 ' SG ' ' A' ' 439' ' ' CYS . 35.4 t -90.65 149.15 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 0.0 111.107 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -128.56 149.48 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -143.42 154.38 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -124.74 120.52 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.5 t -100.41 100.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 138.34 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 117.68 34.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.071 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -81.39 118.65 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.38 37.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.307 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -41.2 61.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.917 0.389 . . . . 0.0 111.339 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.94 163.67 18.34 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.18 -27.87 23.94 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.27 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.95 76.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.071 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -96.24 147.27 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.68 96.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.67 127.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.225 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -111.87 159.43 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.0 m -141.19 100.13 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.5 137.49 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -137.84 102.23 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.53 148.49 7.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 136.45 42.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -66.05 135.15 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -109.71 31.4 5.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -148.24 169.0 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -78.59 149.93 32.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.28 122.94 73.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.42 -178.43 2.96 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.4 2.067 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.054 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.93 0.395 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.91 81.19 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 1.6 m -59.33 -27.3 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 16.3 p -69.96 131.28 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.3 m -84.95 141.23 30.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.96 118.63 21.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.9 121.11 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.37 177.4 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.66 84.48 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.2 tt -99.48 115.1 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -61.64 114.02 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -126.78 31.15 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.454 ' O ' HD23 ' A' ' 467' ' ' LEU . . . 139.66 -26.4 2.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.491 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -155.06 156.12 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.5 108.44 20.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.688 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -107.66 167.52 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.32 131.65 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.89 139.76 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -128.04 -45.64 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.19 151.72 19.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.28 138.77 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.318 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -125.29 157.17 37.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 422' ' ' VAL . 11.2 p -104.11 155.71 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.44 ' N ' HG22 ' A' ' 421' ' ' VAL . 31.9 t -126.59 134.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.83 108.52 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.12 23.49 9.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.617 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -138.37 125.58 13.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.566 0.222 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.43 -18.68 25.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.362 2.041 . . . . 0.0 112.446 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.59 96.4 23.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.982 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.86 157.79 3.51 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.497 2.131 . . . . 0.0 112.283 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -78.62 145.53 34.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.58 123.75 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.43 139.85 40.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.0 -177.78 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.757 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 29.3 pttt -165.26 125.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.68 96.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.711 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 435' ' ' THR . 9.2 t -94.25 70.79 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.369 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.785 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.06 166.82 12.02 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.699 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.0 Cg_exo -53.93 88.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.374 2.049 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 100.05 -24.75 30.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.661 ' SG ' HG23 ' A' ' 441' ' ' VAL . 53.7 t -82.55 128.71 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.43 62.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.239 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.661 HG23 ' SG ' ' A' ' 439' ' ' CYS . 32.9 t -90.28 158.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.233 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.491 ' N ' HG12 ' A' ' 441' ' ' VAL . 6.3 mmt85 -132.0 141.17 49.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -136.71 161.75 35.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -127.44 119.22 25.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.43 111.65 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.523 ' HB2' HG13 ' A' ' 456' ' ' VAL . 2.3 mt-10 -126.29 149.36 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -123.43 107.13 11.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.044 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -60.32 117.76 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.8 -49.58 10.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 6.3 p -55.1 -33.49 62.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.0 158.37 64.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.06 65.38 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.475 2.117 . . . . 0.0 112.256 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 78.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.044 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -108.23 134.21 51.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.84 94.7 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 446' ' ' GLU . 12.1 p -96.68 125.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.5 m -131.76 123.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.2 m -109.6 146.88 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.19 167.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -157.66 91.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 135.01 -167.17 24.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -139.66 136.2 34.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -74.92 128.82 36.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -117.47 30.11 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.71 ' CE1' HG21 ' A' ' 436' ' ' THR . 13.9 p80 -143.24 18.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 54.81 -178.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.867 0.365 . . . . 0.0 111.081 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 411' ' ' GLY . 1.1 mt -92.04 114.42 62.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.09 -170.41 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.442 2.095 . . . . 0.0 112.299 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.094 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.22 119.63 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 8.1 t -160.46 125.69 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.59 124.76 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 52.3 p -82.21 145.19 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -89.69 115.05 26.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 405' ' ' VAL . 12.1 m -79.3 81.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -104.51 123.31 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.4 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 178.77 4.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.21 128.34 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.79 35.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 136.36 -79.04 0.32 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -107.81 175.91 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.96 95.92 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.415 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 63.4 m95 -98.98 164.15 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.62 153.98 30.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.03 128.87 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -112.08 -32.91 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -161.58 139.89 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -129.16 119.85 24.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -87.62 175.16 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.38 139.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -116.27 120.43 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -61.15 114.68 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 114.01 -27.8 8.86 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.33 132.98 37.63 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.08 -26.24 9.45 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.434 2.089 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -107.17 100.06 30.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.28 173.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.532 2.155 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -80.22 146.93 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' SER . . . . . 0.417 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 48.9 m -130.66 120.84 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.37 110.41 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 59.7 m-85 -107.72 -175.77 2.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.05 135.06 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 9.2 t -73.89 92.25 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.713 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.4 t -93.3 71.0 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.815 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.93 22.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.762 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.815 ' HD2' HG22 ' A' ' 436' ' ' THR . 55.2 Cg_exo -52.19 90.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.579 2.186 . . . . 0.0 112.178 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.09 -24.43 30.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.564 ' SG ' HG23 ' A' ' 441' ' ' VAL . 43.4 t -88.27 133.7 33.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.21 62.78 0.6 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.336 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.564 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.5 t -93.94 158.59 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.488 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.3 OUTLIER -134.19 149.79 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 2.4 pttp -146.97 131.63 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -98.02 119.99 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.89 94.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.48 139.51 39.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -112.49 118.08 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -69.51 116.89 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.65 -45.84 10.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -36.99 72.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 158.08 77.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.753 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.28 66.2 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.576 2.184 . . . . 0.0 112.195 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.9 tttm 67.42 85.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.92 103.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 456' ' ' VAL . 11.0 p -99.68 112.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.45 147.64 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.206 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.21 129.18 43.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -110.24 126.33 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -124.45 113.42 18.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.42 175.22 22.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.536 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -122.62 164.53 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -93.07 121.32 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.7 -27.03 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -90.45 163.88 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.11 -174.43 5.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.55 113.4 41.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.44 -178.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.46 2.107 . . . . 0.0 112.246 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.108 -179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -109.33 87.74 2.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 15.1 p -94.11 -32.44 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 31.6 m -138.36 102.98 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -97.11 39.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 28.4 t -92.0 82.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -103.31 130.91 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.502 HD23 ' C ' ' A' ' 407' ' ' LEU . 6.7 tt -73.3 120.77 19.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 407' ' ' LEU . 0.8 OUTLIER -80.88 78.7 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 409' ' ' ASP . . . . . 0.492 ' HB2' HD22 ' A' ' 407' ' ' LEU . 13.6 t70 -87.1 145.06 26.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.14 87.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.784 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 106.52 -88.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.4 151.0 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 111.88 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 77.5 m95 -107.37 161.02 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.15 141.25 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 136.71 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.18 -46.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -135.97 171.49 22.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -167.37 132.26 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -105.64 157.39 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.32 134.94 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.401 HG21 ' CZ ' ' A' ' 429' ' ' ARG . 26.9 t -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 128.07 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 99.31 -28.28 16.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.26 111.37 33.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.536 0.207 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 -14.2 41.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.601 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.69 94.23 19.07 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.98 169.66 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.556 2.171 . . . . 0.0 112.39 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.401 ' CZ ' HG21 ' A' ' 422' ' ' VAL . 58.2 mtt180 -105.33 119.94 40.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 73.8 m -104.89 146.43 29.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -130.37 116.0 17.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -108.03 173.88 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.96 127.11 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.067 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 13.5 t -70.87 97.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -95.45 70.37 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.94 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.15 156.19 35.56 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.94 ' HD2' HG22 ' A' ' 436' ' ' THR . 76.5 Cg_exo -50.22 98.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.556 2.171 . . . . 0.0 112.432 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.91 -25.3 27.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.716 ' SG ' HG23 ' A' ' 441' ' ' VAL . 36.6 t -92.52 135.09 34.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.76 62.02 0.6 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.192 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.716 HG23 ' SG ' ' A' ' 439' ' ' CYS . 25.5 t -87.39 158.92 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.292 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 441' ' ' VAL . 15.3 mtm180 -140.22 142.06 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.429 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 14.2 pttt -141.3 143.26 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.35 116.22 28.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.31 106.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.477 ' HB2' HG13 ' A' ' 456' ' ' VAL . 9.1 mt-10 -121.29 135.14 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -98.77 124.07 43.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -70.37 108.11 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.59 -54.6 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 32.3 p -55.57 -45.98 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.512 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -64.26 158.46 64.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 66.56 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.209 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.59 81.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -125.15 160.84 28.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 102.25 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 446' ' ' GLU . 9.8 p -95.41 147.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 5.3 m -144.83 147.38 32.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 17.7 m -129.7 112.59 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -95.06 145.67 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -142.54 111.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.51 23.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 166.19 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -89.1 139.25 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.71 33.73 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' A' ' 436' ' ' THR . 5.9 p80 -153.86 153.26 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.37 158.56 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.99 109.74 2.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 -170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.049 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.808 0.337 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -107.63 128.23 54.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 402' ' ' THR . 0.3 OUTLIER -128.67 -70.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 402' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 401' ' ' THR . 0.7 OUTLIER -169.95 95.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.104 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.3 m -91.28 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.93 79.67 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' VAL . . . . . 0.588 ' O ' HG23 ' A' ' 405' ' ' VAL . 19.7 m -71.54 89.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.11 -31.5 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.75 HD21 ' CE2' ' A' ' 432' ' ' TYR . 40.0 mt -70.34 122.3 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -86.94 127.69 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.99 103.68 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -107.56 -33.55 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -178.57 -61.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -79.62 177.36 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -121.61 105.64 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.444 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 57.5 m95 -102.67 162.9 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -156.27 138.64 14.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.422 ' HD3' ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -68.21 146.77 53.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -138.72 -47.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -134.39 138.49 10.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.565 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.71 109.77 5.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.32 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.41 148.69 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.0 138.88 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -77.74 94.67 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 135.22 -49.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -75.85 134.49 71.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.518 0.199 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.69 -29.53 8.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.464 2.109 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -82.6 122.1 78.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 169.37 21.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.515 2.143 . . . . 0.0 112.22 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -108.53 104.56 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.5 m -98.74 144.57 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.58 135.18 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.75 ' CE2' HD21 ' A' ' 407' ' ' LEU . 62.0 m-85 -116.43 178.97 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -166.27 130.6 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 6.7 t -66.35 98.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.42 69.04 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.866 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.02 158.74 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.866 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -52.6 89.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.439 2.093 . . . . 0.0 112.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.45 -27.18 19.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.691 ' SG ' HG23 ' A' ' 441' ' ' VAL . 52.4 t -85.89 128.4 34.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.79 62.96 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.691 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.6 t -91.62 142.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.995 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -125.18 132.47 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -129.33 157.57 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -125.82 143.35 51.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 23.0 t -124.99 84.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -84.9 153.2 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -127.97 97.16 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -67.52 130.91 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.82 23.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.335 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -51.62 -37.39 49.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 163.68 17.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.08 -28.08 23.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 76.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -90.99 126.49 36.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.9 t -127.87 85.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.54 141.2 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 23.9 m -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.39 132.04 44.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.4 123.58 49.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.07 119.79 31.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 106.01 165.65 23.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -115.57 157.87 23.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -81.38 142.88 32.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.5 31.26 6.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 436' ' ' THR . 6.1 p80 -153.71 143.65 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.57 159.56 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.73 112.24 9.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.8 -177.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.453 2.102 . . . . 0.0 112.426 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.045 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -109.38 155.84 20.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 82.4 p -148.73 94.61 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.57 91.24 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 84.0 p -100.09 31.58 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.56 100.12 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.39 68.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -107.03 -31.97 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 414' ' ' TRP . 0.0 OUTLIER -92.33 117.63 30.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.523 HD12 ' H ' ' A' ' 408' ' ' LEU . 3.6 mp -86.02 95.88 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -59.81 113.66 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -124.72 -44.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -138.15 -68.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -90.91 174.51 7.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -120.6 105.96 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.782 ' HB2' HD21 ' A' ' 407' ' ' LEU . 13.4 m95 -103.87 158.95 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.36 147.54 38.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.32 141.37 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 418' ' ' GLY . 54.4 p90 -127.18 -46.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 417' ' ' TYR . . . -144.86 175.84 24.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.91 142.44 33.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 431' ' ' TYR . 0.0 OUTLIER -112.65 169.33 8.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.89 146.5 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 19.7 t -125.59 117.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -65.83 115.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 120.47 -49.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.07 130.26 57.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.605 0.24 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.2 -29.53 11.47 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.441 2.094 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.6 122.57 86.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 162.76 40.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.39 2.06 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.43 122.7 42.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 74.1 m -107.36 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 13.8 m-85 -103.13 145.18 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.472 ' CD1' HD11 ' A' ' 407' ' ' LEU . 84.7 m-85 -141.02 169.43 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 133.32 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 20.8 t -75.24 98.52 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -94.56 70.79 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.01 163.13 18.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 436' ' ' THR . 51.6 Cg_exo -53.16 89.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.29 -28.0 17.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.63 ' SG ' HG23 ' A' ' 441' ' ' VAL . 53.4 t -85.05 134.36 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -137.2 62.93 0.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.63 HG23 ' SG ' ' A' ' 439' ' ' CYS . 28.8 t -86.65 155.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 111.036 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.444 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.1 OUTLIER -141.46 120.93 13.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -117.7 160.78 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -123.3 124.23 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.28 112.53 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -133.82 141.51 47.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.42 ' HG2' HG13 ' A' ' 455' ' ' VAL . 12.5 mtt85 -103.98 121.86 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 1.008 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -76.51 119.93 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.38 -28.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.244 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 81.3 p -51.91 -31.99 30.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 157.41 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.89 -24.17 23.34 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.181 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 1.008 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -110.79 141.67 43.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.42 HG13 ' HG2' ' A' ' 447' ' ' ARG . 21.5 t -137.41 91.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.69 134.06 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 22.5 m -130.03 121.37 26.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.4 m -95.73 152.12 18.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -134.29 107.63 7.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -109.07 116.14 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 98.2 139.5 10.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -91.76 174.02 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -96.16 133.96 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -103.72 31.19 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -152.51 156.99 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.86 164.73 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.53 123.21 88.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.65 169.5 20.9 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.457 2.104 . . . . 0.0 112.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.136 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -79.81 98.69 7.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CH2' ' HD3' ' A' ' 443' ' ' LYS . 63.2 m95 -98.84 147.45 24.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -126.78 140.03 52.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -87.95 126.11 34.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -112.16 -34.63 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -170.48 148.39 11.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.589 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -124.52 163.93 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -130.35 144.74 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.11 151.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 424' ' ' GLY . 12.6 t -138.3 130.48 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -33.87 76.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 422' ' ' VAL . . . -74.94 -13.29 82.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.773 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -115.98 135.12 22.69 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 122.817 -0.225 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.53 -27.1 11.27 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.481 2.121 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -103.3 141.46 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.75 166.67 26.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -105.74 112.97 26.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.1 m -102.52 126.77 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -112.65 135.07 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -129.18 -174.47 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.07 128.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.17 98.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.05 69.25 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.268 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.805 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.01 163.47 18.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.805 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -52.76 91.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.48 19.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.606 ' SG ' HG23 ' A' ' 441' ' ' VAL . 49.3 t -83.84 125.71 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.73 63.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.424 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.606 HG23 ' SG ' ' A' ' 439' ' ' CYS . 29.8 t -89.74 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.37 123.19 38.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.424 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -118.73 150.36 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -119.19 124.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.27 97.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -118.26 147.87 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.04 121.51 41.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -73.67 111.52 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.73 -51.48 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -31.33 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.42 158.19 46.29 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.96 65.35 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.488 2.125 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.32 77.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -111.82 114.57 27.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 91.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 456' ' ' VAL . 11.7 p -89.65 114.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.4 m -120.95 125.87 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.54 119.01 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.11 100.02 11.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -88.45 100.98 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.39 166.06 14.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -122.9 142.25 51.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -66.64 155.07 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.87 31.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 18.1 p80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.328 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 110.55 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.451 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 28.0 m95 -108.01 165.22 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.14 144.32 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -73.9 158.87 33.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 53.1 p90 -155.82 -46.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . 0.422 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -129.02 165.46 21.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -159.11 122.11 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.0 149.44 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.14 152.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.04 128.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 133.62 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.14 -54.31 2.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -66.06 119.19 59.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.538 0.208 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.48 -0.21 10.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.495 2.13 . . . . 0.0 112.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -111.7 92.85 18.16 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -50.88 178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.505 2.137 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -115.79 130.92 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 15.5 m -109.5 151.56 26.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.08 120.71 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -118.81 173.45 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.404 ' HD3' ' CD2' ' A' ' 417' ' ' TYR . 10.3 pttm -162.14 131.45 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 111.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.451 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 38.7 t -64.65 101.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.596 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 435' ' ' THR . 8.8 t -97.41 77.67 2.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.621 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.917 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.3 OUTLIER -100.21 150.55 37.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.917 ' HD2' HG22 ' A' ' 436' ' ' THR . 87.6 Cg_exo -47.62 -27.03 7.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.503 2.135 . . . . 0.0 112.437 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -135.19 43.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.256 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.78 ' SG ' HG23 ' A' ' 441' ' ' VAL . 34.7 t -164.8 139.53 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.749 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.25 64.49 0.57 Allowed Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.78 HG23 ' SG ' ' A' ' 439' ' ' CYS . 25.2 t -90.33 141.84 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.731 0.301 . . . . 0.0 111.085 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -123.0 129.78 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -123.52 163.19 21.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.42 153.21 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.11 111.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.55 133.42 54.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.704 ' HG2' HG22 ' A' ' 455' ' ' VAL . 51.6 mtt85 -104.02 102.5 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.039 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -59.81 119.23 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.76 -23.61 24.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 55.3 p -52.92 -34.12 53.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 160.7 26.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.59 -27.45 25.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.541 2.161 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -176.65 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.039 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -107.09 137.59 44.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.704 HG22 ' HG2' ' A' ' 447' ' ' ARG . 21.6 t -140.77 104.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.09 144.02 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.03 155.94 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.23 154.41 50.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -133.56 117.23 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.86 115.83 25.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.14 150.27 21.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.45 153.19 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.39 136.86 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -104.43 30.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.0 p80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.508 ' HD3' HG23 ' A' ' 436' ' ' THR . 7.4 ptm180 -98.87 116.53 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.438 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 46.2 m95 -110.47 152.75 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 136.48 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -78.76 146.25 33.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 44.6 p90 -130.71 -46.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . 0.427 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.58 151.76 22.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.64 149.17 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -116.34 139.21 50.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.41 143.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.96 111.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.34 79.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.55 -30.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -98.85 139.79 21.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.64 0.257 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.29 -27.98 9.1 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.465 2.11 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -95.08 107.24 30.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.84 152.52 73.77 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.413 2.075 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -78.92 146.63 33.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.2 m -140.16 142.89 35.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -123.12 138.19 54.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.22 173.56 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.86 131.02 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.438 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 8.0 t -65.16 100.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 435' ' ' THR . 8.9 t -96.67 66.71 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.422 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.885 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.03 152.91 37.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.885 ' HD2' HG22 ' A' ' 436' ' ' THR . 74.6 Cg_exo -49.52 100.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.416 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.81 -23.56 34.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.603 ' SG ' HG23 ' A' ' 441' ' ' VAL . 40.5 t -96.82 125.44 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.9 63.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 439' ' ' CYS . 31.7 t -89.49 147.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.009 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 141.43 51.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -137.15 146.35 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -109.05 134.17 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 114.0 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.48 127.42 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 124.39 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -81.82 98.99 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.29 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 73.3 p -56.76 -33.4 66.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.417 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -79.57 158.36 73.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.08 66.63 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.5 2.133 . . . . 0.0 112.263 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt 63.73 81.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -127.5 155.98 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.52 105.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.5 130.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.86 140.61 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -125.71 143.79 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -129.6 115.66 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -117.48 110.3 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 119.92 152.1 8.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -112.26 147.43 36.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -65.9 144.84 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.0 21.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.636 ' CE1' HG21 ' A' ' 436' ' ' THR . 7.4 p80 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.72 95.52 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 43.4 m95 -90.48 175.54 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.41 134.26 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -74.72 135.77 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.432 ' CD1' ' HG2' ' A' ' 433' ' ' LYS . 10.7 p90 -130.54 -46.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -125.41 147.9 16.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -143.01 146.1 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 156.24 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 421' ' ' VAL . 10.7 p -121.82 111.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 28.5 t -88.18 138.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.15 137.52 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 91.14 -48.68 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.28 129.47 77.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.08 -33.94 4.13 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.501 2.134 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -74.42 116.08 49.64 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.92 174.48 7.7 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.404 2.07 . . . . 0.0 112.213 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -114.9 106.85 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.3 m -98.75 137.53 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.18 103.68 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -92.8 164.57 13.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.432 ' HG2' ' CD1' ' A' ' 417' ' ' TYR . 0.0 OUTLIER -156.62 128.56 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.304 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.424 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 18.3 t -67.05 95.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 435' ' ' THR . 9.5 t -94.23 73.69 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.667 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.791 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.28 167.19 11.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.0 Cg_exo -54.08 88.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.355 2.037 . . . . 0.0 112.195 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.3 -24.36 30.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.717 ' SG ' HG23 ' A' ' 441' ' ' VAL . 50.9 t -87.55 138.93 31.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -140.92 55.06 0.62 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.717 HG23 ' SG ' ' A' ' 439' ' ' CYS . 24.8 t -78.24 150.59 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -129.31 152.78 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 6.8 pttt -151.63 131.94 13.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -102.22 119.64 39.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.36 97.24 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.61 127.07 55.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -100.72 111.44 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.052 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.14 119.35 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -85.47 -26.51 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -37.8 63.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.226 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.03 163.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.77 -34.49 44.7 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.531 2.154 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.02 79.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.052 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -104.22 146.5 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.43 104.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.16 131.36 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.6 m -128.67 145.95 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -134.33 111.72 10.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -88.36 145.32 25.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -141.43 120.02 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.34 139.32 10.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -95.63 154.1 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -78.07 140.02 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.6 29.64 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.02 93.06 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -97.3 155.55 16.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -140.08 127.25 21.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.17 127.83 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -117.77 -38.81 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -133.17 173.97 20.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.27 137.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 137.82 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.02 150.21 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.583 HG11 ' OD1' ' A' ' 425' ' ' ASN . 21.5 t -107.52 148.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -81.24 109.82 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.94 -49.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.583 ' OD1' HG11 ' A' ' 422' ' ' VAL . 24.8 m120 -67.62 122.76 84.75 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.559 0.219 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.21 -19.7 29.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.132 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.7 101.01 8.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.54 156.65 64.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.429 2.086 . . . . 0.0 112.204 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -85.68 149.19 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 149.12 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -127.37 132.15 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -135.77 168.3 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -157.1 131.67 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 12.1 t -67.3 98.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.0 t -99.53 72.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.267 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.827 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.12 162.37 21.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.827 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -55.3 86.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.428 2.086 . . . . 0.0 112.226 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.09 -27.08 12.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.662 ' SG ' HG23 ' A' ' 441' ' ' VAL . 52.5 t -89.28 135.58 33.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.13 59.24 0.65 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.662 HG23 ' SG ' ' A' ' 439' ' ' CYS . 33.8 t -89.44 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -129.9 147.57 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -144.22 161.27 39.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -131.47 119.74 22.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.11 125.8 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -137.15 119.28 15.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.537 ' HG2' HG22 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -104.74 104.11 13.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.921 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -62.94 120.22 10.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.47 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.407 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 30.9 p -51.65 -45.03 63.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.27 163.55 30.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.758 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.56 -28.52 22.18 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.595 2.196 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.76 79.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.921 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -103.36 132.92 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 447' ' ' ARG . 23.2 t -129.01 131.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.13 134.78 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.7 m -131.03 149.1 52.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -125.92 132.76 52.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -107.6 132.22 53.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.49 97.14 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 131.75 -161.36 23.73 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 138.48 22.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.75 140.97 32.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -123.69 31.15 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.3 p80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.825 0.345 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -110.73 86.58 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 68.7 m95 -87.12 170.11 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -158.35 128.92 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 127.24 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 52.6 p90 -110.81 -32.99 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -157.25 161.64 31.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -149.0 145.09 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -123.09 174.16 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.96 149.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 423' ' ' LYS . 28.5 t -106.4 155.26 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 422' ' ' VAL . 11.0 mttt -91.25 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.92 -48.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.595 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -66.87 130.07 93.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.453 0.168 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.5 -0.62 10.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.568 2.179 . . . . 0.0 112.806 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -111.43 94.19 21.73 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 -176.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.542 2.161 . . . . 0.0 112.306 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -106.01 145.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.5 m -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 27.4 m-85 -131.67 124.77 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -124.45 163.21 22.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.07 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 23.2 t -70.31 99.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.568 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.6 t -95.2 69.45 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.761 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.59 37.56 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.761 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.0 Cg_endo -53.1 91.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.142 . . . . 0.0 112.119 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.53 -25.99 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.364 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.695 ' SG ' HG23 ' A' ' 441' ' ' VAL . 42.5 t -98.64 130.07 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.91 64.63 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.695 HG23 ' SG ' ' A' ' 439' ' ' CYS . 33.4 t -88.85 156.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.229 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.46 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.0 OUTLIER -140.2 123.97 17.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 30.7 pttt -119.37 154.54 33.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -118.86 113.86 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.7 t -88.82 128.35 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.762 ' HB2' HG13 ' A' ' 456' ' ' VAL . 38.9 mt-10 -143.26 146.2 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -121.15 125.53 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.876 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -79.01 115.9 18.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.33 10.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 13.6 p -55.54 -35.7 65.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 158.49 72.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.3 65.98 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.504 2.136 . . . . 0.0 112.183 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 2.4 tttm 65.66 83.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.876 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -122.94 154.34 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.1 t -124.99 112.72 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.762 HG13 ' HB2' ' A' ' 446' ' ' GLU . 11.8 p -110.74 115.52 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 458' ' ' THR . 22.9 m -121.88 155.85 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 457' ' ' THR . 1.3 m -125.92 144.18 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -123.58 109.52 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -109.44 97.18 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.87 153.22 8.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.608 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.23 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.31 123.48 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -101.15 31.96 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 12.3 p80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -125.09 107.97 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.439 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 17.9 m95 -104.67 156.01 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.3 138.08 43.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.429 ' HD2' ' CE2' ' A' ' 432' ' ' TYR . 12.5 tttt -79.95 125.4 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.14 -36.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -146.67 168.98 27.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.575 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.94 143.9 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -125.15 141.75 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.05 131.79 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.29 118.52 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 146.79 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 82.74 -57.93 5.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.561 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.47 129.94 94.44 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.507 0.194 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.11 -28.79 8.7 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.47 2.113 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -95.21 108.72 40.59 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.08 173.72 8.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.401 2.067 . . . . 0.0 112.284 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -98.1 100.56 11.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 52.0 m -93.82 113.84 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -96.28 148.15 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.922 0.392 . . . . 0.0 110.989 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 51.7 m-85 -148.16 -178.39 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -167.13 133.76 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.439 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 19.3 t -67.43 101.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 24.6 p -97.43 69.1 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.341 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.768 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.18 37.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.1 Cg_endo -53.37 91.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.599 2.199 . . . . 0.0 112.018 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.21 14.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.727 ' SG ' HG23 ' A' ' 441' ' ' VAL . 42.8 t -99.47 128.63 45.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.07 63.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.245 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.727 HG23 ' SG ' ' A' ' 439' ' ' CYS . 32.2 t -91.56 154.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 0.0 111.322 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.43 ' N ' HG12 ' A' ' 441' ' ' VAL . 9.1 mtm-85 -130.46 153.84 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.782 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 17.0 pttt -149.53 166.76 28.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.978 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -136.04 140.08 43.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.48 120.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.49 108.89 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -84.95 109.33 18.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.77 111.06 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.72 6.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -34.84 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.433 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -77.04 158.49 80.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.42 65.13 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.505 2.137 . . . . 0.0 112.178 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.67 83.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -126.92 143.63 51.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.92 96.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 456' ' ' VAL . 12.0 p -94.13 124.51 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.9 m -124.45 119.34 28.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.94 153.64 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -131.76 131.02 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -124.0 106.95 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 99.65 149.02 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -92.83 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.05 30.62 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.427 ' CE2' ' CD2' ' A' ' 463' ' ' HIS . 10.6 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 85.16 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.415 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 65.9 m95 -94.49 169.43 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 151.18 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -95.2 131.73 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -112.86 -35.85 5.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -156.6 -177.35 29.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -159.64 145.33 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -177.69 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 422' ' ' VAL . 11.1 p -135.07 156.13 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.443 ' N ' HG22 ' A' ' 421' ' ' VAL . 20.1 t -141.5 139.87 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 132.77 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.65 -22.44 39.1 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.551 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.88 101.1 31.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.587 0.232 . . . . 0.0 110.78 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.99 -27.93 17.69 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.464 2.11 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.98 131.91 35.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.3 165.81 30.97 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -87.84 109.72 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 58.6 m -92.97 148.63 21.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -137.41 125.2 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -118.98 177.28 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 135.2 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.16 96.61 1.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 3.0 t -91.29 68.6 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.325 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -99.99 153.65 37.65 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 436' ' ' THR . 11.0 Cg_endo -54.3 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.626 2.217 . . . . 0.0 112.088 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.95 -24.86 25.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.407 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.716 ' SG ' HG23 ' A' ' 441' ' ' VAL . 41.8 t -99.56 118.55 36.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -120.44 64.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.716 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.3 t -87.14 154.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.425 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.0 OUTLIER -133.33 142.39 48.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 1.8 pttt -141.85 159.32 42.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -125.99 142.0 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.98 100.37 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.99 119.72 34.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.65 93.48 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.86 111.59 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.52 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.411 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 60.1 p -52.52 -42.3 64.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.97 162.91 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.754 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.52 -29.25 31.23 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 81.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -113.47 128.43 56.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.81 95.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.42 134.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.5 156.9 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 108.9 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -89.41 146.68 24.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -139.36 91.33 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.52 -176.32 17.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -135.17 143.33 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.427 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 97.8 m-70 -84.33 139.46 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -141.95 38.73 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.0 p80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -92.74 104.33 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.421 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 78.1 m95 -103.76 158.02 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.71 138.23 23.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -83.11 133.07 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -113.5 -36.36 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -159.92 157.88 29.15 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -144.82 146.18 31.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -107.8 158.01 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -124.44 138.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.19 140.44 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 95.64 8.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 131.54 -35.59 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.33 121.64 84.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.545 0.212 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.21 -13.45 28.36 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.368 2.045 . . . . 0.0 112.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -112.55 90.74 15.3 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 151.4 15.13 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.476 2.117 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -86.25 154.24 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 71.4 m -144.55 157.98 43.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 430' ' ' SER . 14.0 m-85 -137.96 121.75 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.95 -177.9 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.84 132.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.24 102.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -98.26 70.41 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.537 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.939 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.17 151.29 37.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.939 ' HD2' HG22 ' A' ' 436' ' ' THR . 73.8 Cg_exo -48.78 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.369 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.4 -24.31 27.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.719 ' SG ' HG23 ' A' ' 441' ' ' VAL . 39.8 t -96.52 136.53 36.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -138.61 61.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.719 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.7 t -85.41 140.96 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -117.14 144.9 44.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 2.5 pttt -142.14 143.23 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.657 ' O ' HG23 ' A' ' 457' ' ' THR . 60.7 m80 -110.82 148.84 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.799 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.55 102.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.662 ' O ' HG12 ' A' ' 456' ' ' VAL . 0.5 OUTLIER -113.1 113.83 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.432 ' HG3' HG13 ' A' ' 455' ' ' VAL . 0.6 OUTLIER -91.94 109.08 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.134 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -71.25 112.75 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.54 -30.86 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.1 t -55.2 -23.73 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.34 162.45 20.83 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -33.23 50.8 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.467 2.112 . . . . 0.0 112.105 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 179.96 75.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.73 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.134 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -104.83 135.9 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.432 HG13 ' HG3' ' A' ' 447' ' ' ARG . 24.4 t -134.98 84.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 446' ' ' GLU . 9.4 p -77.61 144.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 444' ' ' HIS . 21.0 m -143.78 129.43 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 22.6 m -104.71 146.99 28.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -120.95 128.41 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -127.73 117.89 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.73 174.42 22.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -130.96 157.02 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -86.94 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -125.82 30.85 5.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' A' ' 436' ' ' THR . 11.7 p80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 107.19 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.456 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 51.2 m95 -104.52 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.4 153.36 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.05 143.3 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -137.51 -46.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -137.63 159.0 24.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.423 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.43 149.11 29.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -123.68 -177.15 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 422' ' ' VAL . 10.1 p -132.42 155.74 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 421' ' ' VAL . 16.4 t -124.92 144.97 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 108.13 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 113.69 -42.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -74.7 140.23 74.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.675 0.274 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.71 -41.27 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.68 113.02 46.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.92 -169.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.457 2.105 . . . . 0.0 112.271 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.445 ' HD2' HG22 ' A' ' 422' ' ' VAL . 4.9 mtt180 -119.14 110.23 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 9.5 m -99.46 159.62 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -140.33 118.21 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -110.7 177.47 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -162.54 127.71 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.456 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 14.6 t -66.97 95.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 435' ' ' THR . 10.1 t -93.51 70.06 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.191 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.831 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 161.36 24.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.831 ' HD2' HG22 ' A' ' 436' ' ' THR . 69.8 Cg_exo -51.31 90.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.529 2.153 . . . . 0.0 112.253 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 101.28 -25.97 26.26 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.541 ' SG ' HG23 ' A' ' 441' ' ' VAL . 48.8 t -85.99 132.28 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.84 64.05 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.541 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.7 t -93.85 141.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 121.86 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.43 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -117.04 163.3 16.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -130.56 125.23 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.08 118.7 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.038 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.545 ' HB2' HG13 ' A' ' 456' ' ' VAL . 3.5 mt-10 -126.15 133.46 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -107.51 117.91 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -84.28 123.23 29.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.46 -24.09 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.54 57.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.248 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.0 162.38 21.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.54 -29.36 31.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.489 2.126 . . . . 0.0 112.298 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -177.07 76.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -98.78 133.15 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.47 82.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.545 HG13 ' HB2' ' A' ' 446' ' ' GLU . 10.5 p -81.25 119.28 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 3.8 m -112.66 143.72 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 120.45 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.34 128.11 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -126.26 105.27 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 114.1 155.42 11.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -102.47 155.42 18.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.41 113.46 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -69.99 -25.39 63.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.75 106.31 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CD2' ' HD3' ' A' ' 443' ' ' LYS . 8.3 m95 -99.25 144.85 27.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.788 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -120.51 143.09 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -79.58 144.47 33.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.72 -47.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -121.47 160.8 15.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.69 150.29 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.02 169.12 16.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.66 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.52 142.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 130.78 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 96.38 -32.64 6.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.31 111.82 45.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.532 0.206 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.5 -13.24 38.47 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.426 2.084 . . . . 0.0 112.541 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.74 94.31 19.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.22 175.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.575 2.183 . . . . 0.0 112.289 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -104.17 133.35 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.7 m -121.07 154.07 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -128.18 137.86 52.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -124.75 171.7 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 435' ' ' THR . 0.1 OUTLIER -154.67 128.97 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.39 103.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.691 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 433' ' ' LYS . 29.9 p -99.82 70.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.828 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.85 22.89 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.8 Cg_exo -52.58 89.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.247 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.87 -25.09 28.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 441' ' ' VAL . 51.9 t -85.6 131.81 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -134.38 62.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.599 HG23 ' SG ' ' A' ' 439' ' ' CYS . 29.5 t -92.04 154.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 441' ' ' VAL . 20.8 mtm180 -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.436 ' HD3' ' CD2' ' A' ' 414' ' ' TRP . 2.4 ptmm? -140.91 159.86 41.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -122.47 122.81 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.737 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.48 136.91 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -142.16 136.08 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -100.12 89.57 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.03 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -60.14 117.72 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.55 -24.11 24.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.291 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 74.9 p -51.73 -38.31 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 111.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 163.61 18.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.42 -29.81 25.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.534 2.156 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.91 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.03 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -100.26 130.97 46.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.57 93.55 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.92 127.49 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 4.5 m -127.14 146.28 50.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -129.81 145.18 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -113.16 143.68 43.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.38 87.38 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.85 165.49 12.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 152.9 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -85.47 146.45 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -127.21 29.97 5.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.604 ' CE1' HG21 ' A' ' 436' ' ' THR . 12.9 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -81.25 96.92 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 66.7 m95 -98.51 158.75 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 151.61 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -94.1 131.94 39.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -126.49 -45.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.45 155.27 21.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.91 125.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 178.56 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -123.51 137.12 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 429' ' ' ARG . 21.6 t -89.19 155.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 422' ' ' VAL . 12.0 mmtm -98.07 89.63 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 129.37 -31.8 3.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.528 ' OD1' ' HB3' ' A' ' 449' ' ' ALA . 2.3 m-80 -89.11 112.1 49.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.831 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.87 -41.74 54.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.489 2.126 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -75.02 113.05 20.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.06 -167.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.432 2.088 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 422' ' ' VAL . 1.0 OUTLIER -123.31 132.67 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.5 m -124.54 151.08 45.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -139.74 103.2 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -96.39 -179.31 4.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.03 122.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 45.9 t -65.06 101.74 0.55 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.6 t -98.41 80.5 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.299 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.843 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 164.15 17.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.843 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.1 Cg_exo -54.32 -30.8 64.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.499 2.132 . . . . 0.0 112.464 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -136.83 38.98 1.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.412 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.768 ' SG ' HG23 ' A' ' 441' ' ' VAL . 32.8 t -162.1 131.7 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -131.98 64.92 0.6 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.768 HG23 ' SG ' ' A' ' 439' ' ' CYS . 23.3 t -83.61 142.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -120.24 124.42 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.43 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 13.1 pttp -123.24 132.85 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -102.92 129.26 49.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.67 107.02 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -117.82 114.38 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -94.46 103.63 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.939 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.39 110.53 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.528 ' HB3' ' OD1' ' A' ' 425' ' ' ASN . . . -85.75 -47.93 9.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 21.0 p -56.84 -31.57 64.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.58 158.22 66.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.91 68.07 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.493 2.129 . . . . 0.0 112.276 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 63.19 83.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.939 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -124.99 135.45 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.38 95.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.0 p -96.47 133.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.8 123.38 38.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 93.97 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -79.51 96.88 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -95.07 115.32 27.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 110.34 -170.61 14.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -145.6 147.39 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.61 114.02 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -98.26 35.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 13.2 p80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.447 ' CD ' HG23 ' A' ' 436' ' ' THR . 4.9 mtt-85 -97.62 98.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -103.3 157.47 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -149.76 131.97 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -72.3 150.54 43.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.013 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.1 p90 -138.52 -46.5 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -143.58 124.86 2.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.11 154.91 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -128.56 134.39 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.27 148.53 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.68 119.21 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 129.08 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.42 -27.96 17.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -91.21 129.5 43.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.501 0.191 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 -17.98 19.3 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.515 2.143 . . . . 0.0 112.546 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -110.95 94.69 21.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 -174.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -116.7 144.27 44.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 48.8 m -134.28 142.17 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.79 135.7 52.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -132.79 176.5 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -157.74 130.49 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.79 93.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 435' ' ' THR . 9.6 t -92.58 68.03 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.816 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -98.83 161.61 24.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.816 ' HD2' HG22 ' A' ' 436' ' ' THR . 61.0 Cg_exo -51.89 90.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.481 2.121 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.01 -26.98 22.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 441' ' ' VAL . 28.8 t -84.05 127.97 34.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.991 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -129.29 62.53 0.64 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.0 t -93.21 151.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -129.37 132.07 46.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -124.92 155.52 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -131.2 108.35 9.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.45 113.34 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -129.35 143.82 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 108.12 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.007 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -74.92 131.12 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.39 -22.26 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.14 -39.84 57.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.827 0.346 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.01 160.39 27.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.83 -26.79 14.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -177.17 77.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.007 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -92.04 109.06 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.28 89.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.1 p -98.88 129.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 16.3 m -128.73 138.69 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 150.62 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -136.7 122.7 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -119.42 102.05 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 112.96 136.52 6.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -90.24 155.42 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.54 133.68 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -123.23 33.87 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 p80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' CE2' ' NE2' ' A' ' 463' ' ' HIS . 8.6 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -102.87 93.18 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.404 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 82.4 m95 -96.6 159.34 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -154.44 129.91 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -81.68 151.56 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.4 p90 -133.29 -46.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.89 -172.62 13.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.595 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -167.81 165.61 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -124.99 156.59 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.82 137.91 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.427 HG21 ' NH1' ' A' ' 429' ' ' ARG . 20.7 t -121.73 126.97 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 122.13 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 111.18 -41.02 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.57 132.65 48.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 110.782 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.59 -24.88 11.5 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.413 2.076 . . . . 0.0 112.395 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -100.43 107.13 46.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.009 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 -162.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.437 2.092 . . . . 0.0 112.18 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.427 ' NH1' HG21 ' A' ' 422' ' ' VAL . 16.5 mtt85 -126.86 121.68 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 0.7 OUTLIER -106.55 161.42 14.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 430' ' ' SER . 38.1 m-85 -152.45 99.27 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -91.24 -173.14 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -169.4 131.03 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 37.1 t -68.6 98.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.7 t -95.05 80.87 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.447 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.91 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.11 162.57 20.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.91 ' HD2' HG22 ' A' ' 436' ' ' THR . 51.7 Cg_exo -53.72 -27.19 41.52 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -140.56 40.4 1.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.777 ' SG ' HG23 ' A' ' 441' ' ' VAL . 8.4 t -162.64 129.79 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.45 62.23 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.777 HG23 ' SG ' ' A' ' 439' ' ' CYS . 40.2 t -81.29 154.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 441' ' ' VAL . 3.2 mtt180 -127.63 139.65 52.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.404 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 36.6 pttt -135.46 158.58 44.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -123.79 165.81 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.24 95.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.69 126.84 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.424 ' HG3' HG13 ' A' ' 455' ' ' VAL . 1.0 OUTLIER -107.39 92.23 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -59.59 124.78 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.46 -21.89 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.296 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 2.3 p -50.76 -34.27 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.04 163.69 17.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.693 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.56 -30.84 29.4 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.474 2.116 . . . . 0.0 112.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.17 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -101.13 134.6 43.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.424 HG13 ' HG3' ' A' ' 447' ' ' ARG . 22.0 t -134.16 80.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.29 129.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.5 m -109.35 154.11 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.84 142.75 49.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -130.57 114.8 15.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.32 109.84 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 113.94 154.46 11.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 144.87 34.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.433 ' NE2' ' CE2' ' A' ' 412' ' ' TYR . 88.8 m-70 -67.08 148.35 52.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -128.72 40.76 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.548 ' CE1' HG21 ' A' ' 436' ' ' THR . 8.8 p80 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -89.12 96.53 10.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -102.22 171.2 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -157.81 143.15 16.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.52 127.76 34.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.21 -34.21 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -162.23 178.31 38.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -169.4 170.61 8.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.366 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 -175.38 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.91 142.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 128.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 112.45 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.17 -29.01 10.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -101.84 139.9 20.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.642 0.258 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.42 -33.84 5.1 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.492 2.128 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -76.39 120.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.59 165.34 32.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.317 2.011 . . . . 0.0 112.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 155.1 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.0 m -136.62 135.35 38.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -121.29 124.44 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -123.71 175.51 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -166.04 134.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 19.9 t -73.34 93.98 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 435' ' ' THR . 9.2 t -92.18 71.16 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.777 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.08 163.28 18.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.777 ' HD2' HG22 ' A' ' 436' ' ' THR . 52.4 Cg_exo -52.83 89.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.539 2.16 . . . . 0.0 112.272 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.2 -26.98 22.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.6 ' SG ' HG23 ' A' ' 441' ' ' VAL . 49.1 t -85.89 134.12 33.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.98 62.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.564 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.6 HG23 ' SG ' ' A' ' 439' ' ' CYS . 35.4 t -90.65 149.15 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 0.0 111.107 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -128.56 149.48 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -143.42 154.38 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -124.74 120.52 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.5 t -100.41 100.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 138.34 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 117.68 34.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.071 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -81.39 118.65 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.38 37.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.307 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -41.2 61.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.917 0.389 . . . . 0.0 111.339 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.94 163.67 18.34 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.18 -27.87 23.94 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.27 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.95 76.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.071 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -96.24 147.27 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.68 96.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.67 127.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.225 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -111.87 159.43 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.0 m -141.19 100.13 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.5 137.49 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -137.84 102.23 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.53 148.49 7.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 136.45 42.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -66.05 135.15 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -109.71 31.4 5.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.5 108.44 20.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.688 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -107.66 167.52 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.32 131.65 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.89 139.76 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -128.04 -45.64 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.19 151.72 19.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.28 138.77 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.318 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -125.29 157.17 37.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 422' ' ' VAL . 11.2 p -104.11 155.71 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.44 ' N ' HG22 ' A' ' 421' ' ' VAL . 31.9 t -126.59 134.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.83 108.52 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.12 23.49 9.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.617 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -138.37 125.58 13.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.566 0.222 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.43 -18.68 25.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.362 2.041 . . . . 0.0 112.446 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.59 96.4 23.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.982 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.86 157.79 3.51 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.497 2.131 . . . . 0.0 112.283 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -78.62 145.53 34.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.58 123.75 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.43 139.85 40.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.0 -177.78 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.757 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 29.3 pttt -165.26 125.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.68 96.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.711 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 435' ' ' THR . 9.2 t -94.25 70.79 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.369 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.785 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.06 166.82 12.02 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.699 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.0 Cg_exo -53.93 88.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.374 2.049 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 100.05 -24.75 30.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.661 ' SG ' HG23 ' A' ' 441' ' ' VAL . 53.7 t -82.55 128.71 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.43 62.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.239 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.661 HG23 ' SG ' ' A' ' 439' ' ' CYS . 32.9 t -90.28 158.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.233 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.491 ' N ' HG12 ' A' ' 441' ' ' VAL . 6.3 mmt85 -132.0 141.17 49.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -136.71 161.75 35.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -127.44 119.22 25.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.43 111.65 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.523 ' HB2' HG13 ' A' ' 456' ' ' VAL . 2.3 mt-10 -126.29 149.36 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -123.43 107.13 11.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.044 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -60.32 117.76 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.8 -49.58 10.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 6.3 p -55.1 -33.49 62.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.0 158.37 64.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.06 65.38 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.475 2.117 . . . . 0.0 112.256 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 78.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.044 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -108.23 134.21 51.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.84 94.7 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 446' ' ' GLU . 12.1 p -96.68 125.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.5 m -131.76 123.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.2 m -109.6 146.88 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.19 167.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -157.66 91.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 135.01 -167.17 24.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -139.66 136.2 34.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -74.92 128.82 36.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -117.47 30.11 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.71 ' CE1' HG21 ' A' ' 436' ' ' THR . 13.9 p80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.277 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.96 95.92 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.415 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 63.4 m95 -98.98 164.15 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.62 153.98 30.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.03 128.87 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -112.08 -32.91 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -161.58 139.89 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -129.16 119.85 24.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -87.62 175.16 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.38 139.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -116.27 120.43 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -61.15 114.68 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 114.01 -27.8 8.86 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.33 132.98 37.63 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.08 -26.24 9.45 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.434 2.089 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -107.17 100.06 30.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.28 173.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.532 2.155 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -80.22 146.93 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . 0.417 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 48.9 m -130.66 120.84 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.37 110.41 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 59.7 m-85 -107.72 -175.77 2.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.05 135.06 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 9.2 t -73.89 92.25 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.713 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.4 t -93.3 71.0 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.815 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.93 22.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.815 ' HD2' HG22 ' A' ' 436' ' ' THR . 55.2 Cg_exo -52.19 90.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.579 2.186 . . . . 0.0 112.178 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.09 -24.43 30.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.564 ' SG ' HG23 ' A' ' 441' ' ' VAL . 43.4 t -88.27 133.7 33.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.21 62.78 0.6 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.336 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.564 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.5 t -93.94 158.59 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.488 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.3 OUTLIER -134.19 149.79 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 2.4 pttp -146.97 131.63 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -98.02 119.99 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.89 94.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.48 139.51 39.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -112.49 118.08 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -69.51 116.89 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.65 -45.84 10.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -36.99 72.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 158.08 77.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.753 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.28 66.2 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.576 2.184 . . . . 0.0 112.195 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.9 tttm 67.42 85.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.92 103.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 456' ' ' VAL . 11.0 p -99.68 112.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.45 147.64 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.206 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.21 129.18 43.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -110.24 126.33 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -124.45 113.42 18.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.42 175.22 22.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.536 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -122.62 164.53 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -93.07 121.32 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.7 -27.03 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 111.88 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 77.5 m95 -107.37 161.02 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.15 141.25 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 136.71 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.18 -46.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -135.97 171.49 22.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -167.37 132.26 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -105.64 157.39 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.32 134.94 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.401 HG21 ' CZ ' ' A' ' 429' ' ' ARG . 26.9 t -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 128.07 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 99.31 -28.28 16.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.26 111.37 33.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.536 0.207 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 -14.2 41.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.601 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.69 94.23 19.07 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.98 169.66 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.556 2.171 . . . . 0.0 112.39 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.401 ' CZ ' HG21 ' A' ' 422' ' ' VAL . 58.2 mtt180 -105.33 119.94 40.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 73.8 m -104.89 146.43 29.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -130.37 116.0 17.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -108.03 173.88 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.96 127.11 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.067 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 13.5 t -70.87 97.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -95.45 70.37 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.94 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.15 156.19 35.56 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.94 ' HD2' HG22 ' A' ' 436' ' ' THR . 76.5 Cg_exo -50.22 98.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.556 2.171 . . . . 0.0 112.432 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.91 -25.3 27.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.716 ' SG ' HG23 ' A' ' 441' ' ' VAL . 36.6 t -92.52 135.09 34.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.76 62.02 0.6 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.192 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.716 HG23 ' SG ' ' A' ' 439' ' ' CYS . 25.5 t -87.39 158.92 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.292 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 441' ' ' VAL . 15.3 mtm180 -140.22 142.06 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.429 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 14.2 pttt -141.3 143.26 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.35 116.22 28.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.31 106.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.477 ' HB2' HG13 ' A' ' 456' ' ' VAL . 9.1 mt-10 -121.29 135.14 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -98.77 124.07 43.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -70.37 108.11 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.59 -54.6 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 32.3 p -55.57 -45.98 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.512 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -64.26 158.46 64.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 66.56 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.209 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.59 81.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -125.15 160.84 28.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 102.25 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 446' ' ' GLU . 9.8 p -95.41 147.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 5.3 m -144.83 147.38 32.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 17.7 m -129.7 112.59 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -95.06 145.67 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -142.54 111.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.51 23.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 166.19 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -89.1 139.25 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.71 33.73 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' A' ' 436' ' ' THR . 5.9 p80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -121.61 105.64 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.444 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 57.5 m95 -102.67 162.9 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -156.27 138.64 14.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.422 ' HD3' ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -68.21 146.77 53.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -138.72 -47.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -134.39 138.49 10.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.565 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.71 109.77 5.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.32 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.41 148.69 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.0 138.88 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -77.74 94.67 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 135.22 -49.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -75.85 134.49 71.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.518 0.199 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.69 -29.53 8.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.464 2.109 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -82.6 122.1 78.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 169.37 21.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.515 2.143 . . . . 0.0 112.22 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -108.53 104.56 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.5 m -98.74 144.57 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.58 135.18 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.422 ' CE2' ' HD3' ' A' ' 416' ' ' LYS . 62.0 m-85 -116.43 178.97 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -166.27 130.6 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 6.7 t -66.35 98.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.42 69.04 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.866 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.02 158.74 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.866 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -52.6 89.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.439 2.093 . . . . 0.0 112.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.45 -27.18 19.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.691 ' SG ' HG23 ' A' ' 441' ' ' VAL . 52.4 t -85.89 128.4 34.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.79 62.96 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.691 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.6 t -91.62 142.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.995 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -125.18 132.47 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -129.33 157.57 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -125.82 143.35 51.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 23.0 t -124.99 84.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -84.9 153.2 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -127.97 97.16 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -67.52 130.91 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.82 23.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.335 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -51.62 -37.39 49.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 163.68 17.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.08 -28.08 23.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 76.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -90.99 126.49 36.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.9 t -127.87 85.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.54 141.2 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 23.9 m -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.39 132.04 44.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.4 123.58 49.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.07 119.79 31.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 106.01 165.65 23.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -115.57 157.87 23.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -81.38 142.88 32.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.5 31.26 6.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 436' ' ' THR . 6.1 p80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -120.6 105.96 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -103.87 158.95 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.36 147.54 38.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.32 141.37 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 54.4 p90 -127.18 -46.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 417' ' ' TYR . . . -144.86 175.84 24.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.91 142.44 33.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 431' ' ' TYR . 0.0 OUTLIER -112.65 169.33 8.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.89 146.5 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 19.7 t -125.59 117.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -65.83 115.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 120.47 -49.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.07 130.26 57.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.605 0.24 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.2 -29.53 11.47 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.441 2.094 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.6 122.57 86.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 162.76 40.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.39 2.06 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.43 122.7 42.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 74.1 m -107.36 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 13.8 m-85 -103.13 145.18 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -141.02 169.43 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 133.32 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 20.8 t -75.24 98.52 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -94.56 70.79 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.01 163.13 18.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 436' ' ' THR . 51.6 Cg_exo -53.16 89.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.29 -28.0 17.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.63 ' SG ' HG23 ' A' ' 441' ' ' VAL . 53.4 t -85.05 134.36 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -137.2 62.93 0.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.63 HG23 ' SG ' ' A' ' 439' ' ' CYS . 28.8 t -86.65 155.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 111.036 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.444 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.1 OUTLIER -141.46 120.93 13.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -117.7 160.78 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -123.3 124.23 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.28 112.53 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -133.82 141.51 47.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.42 ' HG2' HG13 ' A' ' 455' ' ' VAL . 12.5 mtt85 -103.98 121.86 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 1.008 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -76.51 119.93 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.38 -28.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.244 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 81.3 p -51.91 -31.99 30.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 157.41 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.89 -24.17 23.34 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.181 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 1.008 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -110.79 141.67 43.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.42 HG13 ' HG2' ' A' ' 447' ' ' ARG . 21.5 t -137.41 91.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.69 134.06 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 22.5 m -130.03 121.37 26.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.4 m -95.73 152.12 18.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -134.29 107.63 7.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -109.07 116.14 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 98.2 139.5 10.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -91.76 174.02 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -96.16 133.96 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -103.72 31.19 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.0 p80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 399' ' ' VAL . 34.1 m . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.885 0.374 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -147.94 78.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.81 28.97 3.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 34.2 p -140.37 39.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 84.3 p -113.57 121.2 43.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -87.77 125.86 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 17.1 m -90.31 179.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.26 125.2 46.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 407' ' ' LEU . 0.2 OUTLIER -76.4 123.23 25.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.583 ' H ' HD12 ' A' ' 408' ' ' LEU . 5.1 mp -63.08 92.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.74 146.4 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -144.66 31.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 127.82 -68.93 0.53 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -100.9 147.34 26.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -79.81 98.69 7.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CH2' ' HD3' ' A' ' 443' ' ' LYS . 63.2 m95 -98.84 147.45 24.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -126.78 140.03 52.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 2.0 tppt? -87.95 126.11 34.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -112.16 -34.63 5.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -170.48 148.39 11.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.589 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -124.52 163.93 20.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -130.35 144.74 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.11 151.23 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 424' ' ' GLY . 12.6 t -138.3 130.48 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -33.87 76.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 422' ' ' VAL . . . -74.94 -13.29 82.7 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.773 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -115.98 135.12 22.69 Favored Pre-proline 0 C--N 1.331 -0.233 0 O-C-N 122.817 -0.225 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -74.53 -27.1 11.27 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.481 2.121 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -103.3 141.46 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.829 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.75 166.67 26.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.558 2.172 . . . . 0.0 112.372 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -105.74 112.97 26.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.1 m -102.52 126.77 49.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -112.65 135.07 53.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -129.18 -174.47 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.07 128.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.035 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 11.4 t -64.17 98.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.739 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.05 69.25 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.268 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.805 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.01 163.47 18.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.89 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.805 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -52.76 91.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 99.48 -27.48 19.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.606 ' SG ' HG23 ' A' ' 441' ' ' VAL . 49.3 t -83.84 125.71 32.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.73 63.29 0.62 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.424 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.606 HG23 ' SG ' ' A' ' 439' ' ' CYS . 29.8 t -89.74 145.44 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.333 . . . . 0.0 111.141 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.37 123.19 38.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.424 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -118.73 150.36 39.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -119.19 124.64 47.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -103.27 97.34 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -118.26 147.87 43.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -117.04 121.51 41.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -73.67 111.52 8.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -79.73 -51.48 9.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.17 -31.33 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.42 158.19 46.29 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.96 65.35 0.59 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.488 2.125 . . . . 0.0 112.263 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.32 77.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -111.82 114.57 27.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 91.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.547 ' O ' HG13 ' A' ' 456' ' ' VAL . 11.7 p -89.65 114.68 27.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.4 m -120.95 125.87 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.54 119.01 38.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -98.11 100.02 11.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -88.45 100.98 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.39 166.06 14.82 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.568 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -122.9 142.25 51.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.77 0.319 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -66.64 155.07 38.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -144.87 31.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -140.51 16.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.328 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 57.34 176.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.16 126.96 70.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.95 172.78 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.366 2.044 . . . . 0.0 112.269 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.173 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 18.3 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.806 0.336 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . 0.415 ' O ' HG23 ' A' ' 401' ' ' THR . 0.0 OUTLIER -155.63 136.42 13.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 400' ' ' GLN . 0.7 OUTLIER -158.71 106.65 1.88 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.1 96.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 35.4 p -133.86 90.37 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -98.49 98.9 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 6.1 m -96.94 116.51 39.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.17 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -109.88 -31.43 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 432' ' ' TYR . 21.2 mt -98.64 118.22 34.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 107.99 20.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -86.98 140.66 29.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -164.63 35.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 148.02 -67.46 0.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -103.81 150.61 23.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.45 110.55 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.451 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 28.0 m95 -108.01 165.22 11.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -153.14 144.32 23.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.8 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -73.9 158.87 33.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 53.1 p90 -155.82 -46.1 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.422 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -129.02 165.46 21.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -159.11 122.11 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.0 149.44 23.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.14 152.5 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.04 128.8 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.26 133.62 50.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 92.14 -54.31 2.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.53 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -66.06 119.19 59.51 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 120.538 0.208 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -77.48 -0.21 10.41 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.495 2.13 . . . . 0.0 112.843 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -111.7 92.85 18.16 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.965 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -50.88 178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.505 2.137 . . . . 0.0 112.374 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -115.79 130.92 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 15.5 m -109.5 151.56 26.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.811 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.08 120.71 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.416 ' CD2' HD21 ' A' ' 407' ' ' LEU . 19.5 m-85 -118.81 173.45 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.66 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.404 ' HD3' ' CD2' ' A' ' 417' ' ' TYR . 10.3 pttm -162.14 131.45 4.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.888 0.375 . . . . 0.0 111.288 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.451 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 38.7 t -64.65 101.47 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.596 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 435' ' ' THR . 8.8 t -97.41 77.67 2.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.621 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.917 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.3 OUTLIER -100.21 150.55 37.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.762 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.917 ' HD2' HG22 ' A' ' 436' ' ' THR . 87.6 Cg_exo -47.62 -27.03 7.21 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.503 2.135 . . . . 0.0 112.437 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -135.19 43.05 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.256 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.78 ' SG ' HG23 ' A' ' 441' ' ' VAL . 34.7 t -164.8 139.53 5.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.914 0.387 . . . . 0.0 110.749 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.25 64.49 0.57 Allowed Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.78 HG23 ' SG ' ' A' ' 439' ' ' CYS . 25.2 t -90.33 141.84 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.731 0.301 . . . . 0.0 111.085 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -123.0 129.78 51.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -123.52 163.19 21.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -124.42 153.21 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.8 t -134.11 111.85 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.201 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.55 133.42 54.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.704 ' HG2' HG22 ' A' ' 455' ' ' VAL . 51.6 mtt85 -104.02 102.5 12.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.039 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -59.81 119.23 7.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.76 -23.61 24.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 55.3 p -52.92 -34.12 53.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.251 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.99 160.7 26.5 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.59 -27.45 25.6 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.541 2.161 . . . . 0.0 112.319 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -176.65 77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.039 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -107.09 137.59 44.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.704 HG22 ' HG2' ' A' ' 447' ' ' ARG . 21.6 t -140.77 104.63 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.09 144.02 12.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.03 155.94 38.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.23 154.41 50.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.053 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -133.56 117.23 16.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.86 115.83 25.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.14 150.27 21.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.45 153.19 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -78.39 136.86 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -104.43 30.49 5.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -153.17 164.75 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -73.16 -173.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.823 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.7 mp -94.88 110.15 48.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.21 -168.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.4 2.067 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.001 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . 0.648 HG12 HG22 ' A' ' 401' ' ' THR . 21.3 t . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.749 0.309 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -78.6 79.98 5.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.648 HG22 HG12 ' A' ' 399' ' ' VAL . 6.1 t -143.51 165.02 28.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.04 102.2 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.083 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -84.12 114.19 21.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.23 131.61 33.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -90.95 46.68 1.34 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.07 44.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.701 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.6 mt -97.11 39.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -73.83 142.63 46.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.808 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 412' ' ' TYR . 71.9 m-20 59.94 30.5 20.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 59.38 22.38 56.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.591 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 410' ' ' ASP . 46.3 m-85 -119.16 142.87 47.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.508 ' HD3' HG23 ' A' ' 436' ' ' THR . 7.4 ptm180 -98.87 116.53 31.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.052 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.438 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 46.2 m95 -110.47 152.75 25.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.733 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 136.48 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -78.76 146.25 33.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 44.6 p90 -130.71 -46.09 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.427 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.58 151.76 22.55 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.564 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.64 149.17 50.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -116.34 139.21 50.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -104.41 143.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.96 111.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.34 79.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 157.55 -30.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.439 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -98.85 139.79 21.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.64 0.257 . . . . 0.0 110.823 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.29 -27.98 9.1 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.465 2.11 . . . . 0.0 112.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -95.08 107.24 30.57 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.84 152.52 73.77 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.413 2.075 . . . . 0.0 112.239 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -78.92 146.63 33.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.2 m -140.16 142.89 35.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -123.12 138.19 54.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.981 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -129.22 173.56 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.819 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.86 131.02 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.097 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.438 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 8.0 t -65.16 100.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.657 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 435' ' ' THR . 8.9 t -96.67 66.71 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.422 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.885 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.03 152.91 37.97 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.726 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.885 ' HD2' HG22 ' A' ' 436' ' ' THR . 74.6 Cg_exo -49.52 100.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.416 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.81 -23.56 34.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.603 ' SG ' HG23 ' A' ' 441' ' ' VAL . 40.5 t -96.82 125.44 41.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.9 63.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.603 HG23 ' SG ' ' A' ' 439' ' ' CYS . 31.7 t -89.49 147.21 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.009 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.42 141.43 51.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -137.15 146.35 44.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -109.05 134.17 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 114.0 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -134.48 127.42 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.66 124.39 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -81.82 98.99 8.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.07 -49.29 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 73.3 p -56.76 -33.4 66.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.417 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -79.57 158.36 73.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.08 66.63 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.5 2.133 . . . . 0.0 112.263 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt 63.73 81.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.668 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -127.5 155.98 42.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.008 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.52 105.33 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.5 130.37 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.063 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.86 140.61 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -125.71 143.79 50.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -129.6 115.66 17.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -117.48 110.3 17.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 119.92 152.1 8.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.525 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -112.26 147.43 36.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -65.9 144.84 56.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.0 21.5 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.636 ' CE1' HG21 ' A' ' 436' ' ' THR . 7.4 p80 -139.55 13.13 2.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.338 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 50.46 -176.25 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.833 0.349 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.0 113.33 34.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.28 170.37 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.446 2.098 . . . . 0.0 112.383 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.148 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 399' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.946 0.403 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.52 88.51 2.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.57 ' O ' HG23 ' A' ' 401' ' ' THR . 6.1 t -95.05 79.71 3.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.085 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 2.9 p -89.64 108.11 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 11.3 m -110.5 34.17 4.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.21 92.79 7.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.936 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.29 115.23 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.055 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.45 149.42 40.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.784 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 432' ' ' TYR . 4.8 mt -62.71 97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.1 tt -86.23 122.52 30.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -85.38 117.55 24.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -144.27 -60.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -108.32 -60.11 0.55 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -110.1 161.65 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -111.72 95.52 5.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.424 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 43.4 m95 -90.48 175.54 7.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -166.41 134.26 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -74.72 135.77 41.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.432 ' CD1' ' HG2' ' A' ' 433' ' ' LYS . 10.7 p90 -130.54 -46.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -125.41 147.9 16.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -143.01 146.1 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.4 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.32 156.24 33.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.824 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 421' ' ' VAL . 10.7 p -121.82 111.53 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 28.5 t -88.18 138.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.08 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.15 137.52 38.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 91.14 -48.68 2.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.28 129.47 77.72 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.08 -33.94 4.13 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.501 2.134 . . . . 0.0 112.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -74.42 116.08 49.64 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.781 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.92 174.48 7.7 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.404 2.07 . . . . 0.0 112.213 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -114.9 106.85 14.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.3 m -98.75 137.53 37.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.788 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.18 103.68 10.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.461 ' CD1' HD21 ' A' ' 407' ' ' LEU . 82.2 m-85 -92.8 164.57 13.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.675 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.432 ' HG2' ' CD1' ' A' ' 417' ' ' TYR . 0.0 OUTLIER -156.62 128.56 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.304 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.424 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 18.3 t -67.05 95.51 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.499 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 435' ' ' THR . 9.5 t -94.23 73.69 3.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.667 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.791 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.28 167.19 11.34 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.613 179.613 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.0 Cg_exo -54.08 88.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.355 2.037 . . . . 0.0 112.195 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.3 -24.36 30.44 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.477 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.717 ' SG ' HG23 ' A' ' 441' ' ' VAL . 50.9 t -87.55 138.93 31.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.908 0.385 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -140.92 55.06 0.62 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.4 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.717 HG23 ' SG ' ' A' ' 439' ' ' CYS . 24.8 t -78.24 150.59 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.322 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -129.31 152.78 48.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.408 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 6.8 pttt -151.63 131.94 13.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -102.22 119.64 39.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.36 97.24 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.61 127.07 55.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -100.72 111.44 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.052 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.14 119.35 10.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.996 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -85.47 -26.51 26.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.302 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -37.8 63.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.226 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.03 163.67 22.91 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.685 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.77 -34.49 44.7 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.531 2.154 . . . . 0.0 112.279 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -177.02 79.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.052 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -104.22 146.5 28.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.43 104.7 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.16 131.36 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.6 m -128.67 145.95 51.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -134.33 111.72 10.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -88.36 145.32 25.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -141.43 120.02 12.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 100.34 139.32 10.72 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -95.63 154.1 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -78.07 140.02 39.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.6 29.64 7.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -141.81 139.18 32.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.69 146.65 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.65 124.6 87.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.09 165.29 32.88 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.468 2.112 . . . . 0.0 112.264 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.12 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 399' ' ' VAL . 11.5 p . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.834 0.35 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.88 94.88 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 20.7 p -120.45 152.03 38.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.128 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 34.0 p -96.28 166.02 11.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 6.3 m -108.04 93.39 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.08 105.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 405' ' ' VAL . 23.4 m -59.96 107.44 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -83.18 -32.67 26.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.12 93.08 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.8 127.94 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.53 103.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 85.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 145.56 -83.02 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -127.37 161.04 29.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.02 93.06 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -97.3 155.55 16.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -140.08 127.25 21.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.17 127.83 33.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -117.77 -38.81 3.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.996 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -133.17 173.97 20.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.27 137.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.93 0.395 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.19 137.82 44.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -99.02 150.21 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.583 HG11 ' OD1' ' A' ' 425' ' ' ASN . 21.5 t -107.52 148.07 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -81.24 109.82 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.94 -49.79 0.82 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.583 ' OD1' HG11 ' A' ' 422' ' ' VAL . 24.8 m120 -67.62 122.76 84.75 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.559 0.219 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.21 -19.7 29.14 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.499 2.132 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -96.7 101.01 8.14 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.54 156.65 64.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.429 2.086 . . . . 0.0 112.204 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -85.68 149.19 25.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 149.12 50.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -127.37 132.15 50.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.981 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -135.77 168.3 19.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.752 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -157.1 131.67 8.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 12.1 t -67.3 98.83 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.691 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.0 t -99.53 72.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.267 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.827 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.12 162.37 21.21 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.761 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.827 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -55.3 86.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.428 2.086 . . . . 0.0 112.226 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.09 -27.08 12.29 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.483 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.662 ' SG ' HG23 ' A' ' 441' ' ' VAL . 52.5 t -89.28 135.58 33.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.13 59.24 0.65 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.662 HG23 ' SG ' ' A' ' 439' ' ' CYS . 33.8 t -89.44 152.61 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.083 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -129.9 147.57 51.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -144.22 161.27 39.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -131.47 119.74 22.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.11 125.8 48.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.113 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -137.15 119.28 15.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.537 ' HG2' HG22 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -104.74 104.11 13.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.8 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.921 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -62.94 120.22 10.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.51 -20.47 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.407 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 30.9 p -51.65 -45.03 63.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.236 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.27 163.55 30.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.758 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.56 -28.52 22.18 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.595 2.196 . . . . 0.0 112.318 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.76 79.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.921 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -103.36 132.92 49.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.537 HG22 ' HG2' ' A' ' 447' ' ' ARG . 23.2 t -129.01 131.32 68.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -139.13 134.78 41.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.047 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.7 m -131.03 149.1 52.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.057 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 24.5 m -125.92 132.76 52.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -107.6 132.22 53.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -125.49 97.14 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 131.75 -161.36 23.73 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 138.48 22.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.75 140.97 32.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -123.69 31.15 5.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -146.3 157.67 43.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -59.54 177.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 2.1 mp -100.0 106.72 42.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.96 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.88 -175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.449 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.116 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -93.7 151.42 19.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 34.7 p -65.99 -31.97 73.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.9 p -96.91 144.1 27.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.04 123.66 30.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -75.69 114.45 14.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 405' ' ' VAL . 9.2 m -80.97 99.35 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -84.8 117.95 24.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.727 HD21 ' CE1' ' A' ' 432' ' ' TYR . 0.3 OUTLIER -67.15 104.2 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.16 89.67 2.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.22 163.97 20.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -138.31 84.14 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 160.39 -46.41 0.41 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -111.25 163.55 13.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.9 mmt85 -110.73 86.58 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 68.7 m95 -87.12 170.11 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -158.35 128.92 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.9 127.24 31.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 52.6 p90 -110.81 -32.99 6.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -157.25 161.64 31.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.404 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -149.0 145.09 27.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 7.5 mmmt -123.09 174.16 7.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -123.96 149.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 423' ' ' LYS . 28.5 t -106.4 155.26 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 422' ' ' VAL . 11.0 mttt -91.25 112.12 23.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.92 -48.52 1.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.595 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -66.87 130.07 93.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.453 0.168 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.5 -0.62 10.88 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.568 2.179 . . . . 0.0 112.806 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -111.43 94.19 21.73 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 -176.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.542 2.161 . . . . 0.0 112.306 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -106.01 145.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.5 m -131.17 142.52 50.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 27.4 m-85 -131.67 124.77 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.023 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.727 ' CE1' HD21 ' A' ' 407' ' ' LEU . 46.3 m-85 -124.45 163.21 22.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.746 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.74 132.07 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 23.2 t -70.31 99.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.568 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.6 t -95.2 69.45 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.459 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.761 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.59 37.56 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.711 179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.761 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.0 Cg_endo -53.1 91.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.512 2.142 . . . . 0.0 112.119 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 110.53 -25.99 14.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.364 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.695 ' SG ' HG23 ' A' ' 441' ' ' VAL . 42.5 t -98.64 130.07 45.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.91 64.63 0.61 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.695 HG23 ' SG ' ' A' ' 439' ' ' CYS . 33.4 t -88.85 156.59 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.229 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.46 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.0 OUTLIER -140.2 123.97 17.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.841 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 30.7 pttt -119.37 154.54 33.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -118.86 113.86 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.7 t -88.82 128.35 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.762 ' HB2' HG13 ' A' ' 456' ' ' VAL . 38.9 mt-10 -143.26 146.2 33.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -121.15 125.53 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.876 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -79.01 115.9 18.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -84.95 -47.33 10.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 13.6 p -55.54 -35.7 65.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.0 158.49 72.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.579 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.3 65.98 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.504 2.136 . . . . 0.0 112.183 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 2.4 tttm 65.66 83.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.797 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.876 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -122.94 154.34 38.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 26.1 t -124.99 112.72 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.762 HG13 ' HB2' ' A' ' 446' ' ' GLU . 11.8 p -110.74 115.52 50.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 458' ' ' THR . 22.9 m -121.88 155.85 34.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 457' ' ' THR . 1.3 m -125.92 144.18 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -123.58 109.52 13.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -109.44 97.18 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.87 153.22 8.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.608 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.23 131.52 54.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.31 123.48 18.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -101.15 31.96 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -148.41 148.56 30.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.04 145.87 49.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.0 mp -60.81 110.43 2.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -56.35 -165.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.47 2.113 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.054 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.846 0.355 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -110.2 31.42 5.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.433 HG23 HG23 ' A' ' 402' ' ' THR . 9.8 t -89.32 -30.67 18.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . 0.433 HG23 HG23 ' A' ' 401' ' ' THR . 65.8 p -140.41 135.16 31.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 19.4 m -147.28 96.54 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.954 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -90.33 83.89 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.55 122.69 36.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -131.27 168.52 17.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.91 88.17 7.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 4.2 mt -93.07 129.73 38.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -98.56 -172.23 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -92.12 -41.23 10.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -113.08 -69.39 0.53 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -73.55 166.9 22.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -125.09 107.97 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.804 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.439 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 17.9 m95 -104.67 156.01 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.3 138.08 43.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.429 ' HD2' ' CE2' ' A' ' 432' ' ' TYR . 12.5 tttt -79.95 125.4 29.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 48.5 p90 -114.14 -36.67 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -146.67 168.98 27.92 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.575 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -160.94 143.9 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.743 0.306 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -125.15 141.75 51.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.05 131.79 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.058 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.29 118.52 57.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 146.79 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 82.74 -57.93 5.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.561 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -64.47 129.94 94.44 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.507 0.194 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.11 -28.79 8.7 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.47 2.113 . . . . 0.0 112.418 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -95.21 108.72 40.59 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.929 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.08 173.72 8.98 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.401 2.067 . . . . 0.0 112.284 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -98.1 100.56 11.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.998 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 52.0 m -93.82 113.84 25.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -96.28 148.15 23.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.922 0.392 . . . . 0.0 110.989 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 51.7 m-85 -148.16 -178.39 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.817 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -167.13 133.76 2.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.023 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.439 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 19.3 t -67.43 101.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.674 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 24.6 p -97.43 69.1 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.341 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.768 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -100.09 151.18 37.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.749 179.782 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.1 Cg_endo -53.37 91.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.599 2.199 . . . . 0.0 112.018 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.21 14.61 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.386 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.727 ' SG ' HG23 ' A' ' 441' ' ' VAL . 42.8 t -99.47 128.63 45.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.07 63.95 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.245 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.727 HG23 ' SG ' ' A' ' 439' ' ' CYS . 32.2 t -91.56 154.81 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.896 0.379 . . . . 0.0 111.322 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.43 ' N ' HG12 ' A' ' 441' ' ' VAL . 9.1 mtm-85 -130.46 153.84 48.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.782 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.42 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 17.0 pttt -149.53 166.76 28.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.978 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -136.04 140.08 43.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.48 120.7 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.49 108.89 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -84.95 109.33 18.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.77 111.06 3.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.89 -51.72 6.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.19 -34.84 64.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.015 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.433 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -77.04 158.49 80.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.42 65.13 0.75 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.505 2.137 . . . . 0.0 112.178 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.67 83.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.846 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -126.92 143.63 51.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.158 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.9 t -128.92 96.71 3.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 456' ' ' VAL . 12.0 p -94.13 124.51 46.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.9 m -124.45 119.34 28.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.94 153.64 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -131.76 131.02 42.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -124.0 106.95 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 99.65 149.02 23.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -94.67 170.5 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -92.83 138.5 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.982 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.05 30.62 5.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -148.82 155.83 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.8 -173.99 1.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.5 mp -92.01 111.29 49.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.24 -168.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.364 2.043 . . . . 0.0 112.219 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.107 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 120.771 0.32 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -155.02 119.79 4.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 9.8 p -62.44 134.78 56.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 6.8 m -126.8 110.13 12.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.53 172.11 7.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.07 173.94 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.779 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.1 127.55 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.5 163.91 23.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 432' ' ' TYR . 3.1 mt -95.62 85.93 4.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.3 mp -100.0 -178.37 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -97.15 84.38 3.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -125.94 -48.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -112.31 -80.53 1.05 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.427 ' CE2' ' CD2' ' A' ' 463' ' ' HIS . 10.6 m-85 -129.28 178.39 6.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.97 85.16 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.415 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 65.9 m95 -94.49 169.43 10.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 151.18 14.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -95.2 131.73 40.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 55.1 p90 -112.86 -35.85 5.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -156.6 -177.35 29.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -159.64 145.33 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.19 -177.69 3.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 422' ' ' VAL . 11.1 p -135.07 156.13 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.443 ' N ' HG22 ' A' ' 421' ' ' VAL . 20.1 t -141.5 139.87 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 132.77 43.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 95.65 -22.44 39.1 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.551 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -105.88 101.1 31.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.587 0.232 . . . . 0.0 110.78 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -49.99 -27.93 17.69 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.464 2.11 . . . . 0.0 112.518 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.98 131.91 35.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.794 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.3 165.81 30.97 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.496 2.13 . . . . 0.0 112.4 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -87.84 109.72 19.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 58.6 m -92.97 148.63 21.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -137.41 125.2 22.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.44 ' CD2' HD21 ' A' ' 407' ' ' LEU . 41.6 m-85 -118.98 177.28 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.871 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.92 135.2 3.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.011 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.5 t -71.16 96.61 1.39 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 3.0 t -91.29 68.6 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.325 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -99.99 153.65 37.65 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.791 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 436' ' ' THR . 11.0 Cg_endo -54.3 92.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.626 2.217 . . . . 0.0 112.088 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.95 -24.86 25.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.407 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.716 ' SG ' HG23 ' A' ' 441' ' ' VAL . 41.8 t -99.56 118.55 36.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.821 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -120.44 64.29 0.46 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.306 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.716 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.3 t -87.14 154.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.425 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.0 OUTLIER -133.33 142.39 48.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.933 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 1.8 pttt -141.85 159.32 42.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -125.99 142.0 51.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.98 100.37 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.99 119.72 34.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -93.65 93.48 8.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.86 111.59 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.93 -22.52 25.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.411 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 60.1 p -52.52 -42.3 64.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.97 162.91 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.754 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.52 -29.25 31.23 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.429 2.086 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.73 81.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -113.47 128.43 56.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.81 95.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -89.42 134.23 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.5 156.9 23.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 108.9 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -89.41 146.68 24.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -139.36 91.33 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.52 -176.32 17.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.537 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -135.17 143.33 46.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.773 0.32 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.427 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 97.8 m-70 -84.33 139.46 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -141.95 38.73 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -134.67 168.65 18.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.046 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -83.82 158.97 21.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.705 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.22 138.25 78.64 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.804 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.88 161.04 47.46 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.442 2.095 . . . . 0.0 112.235 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.103 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.89 0.376 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -89.62 152.92 21.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.84 97.33 7.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.9 t -108.93 124.51 50.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.89 -38.26 64.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -100.08 116.61 32.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.564 ' O ' HG13 ' A' ' 405' ' ' VAL . 11.4 p -97.72 112.67 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.067 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -91.09 -71.88 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 414' ' ' TRP . 0.3 OUTLIER -89.31 109.91 20.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.872 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.439 ' H ' HD23 ' A' ' 408' ' ' LEU . 0.4 OUTLIER -90.47 -178.24 5.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -92.44 123.47 35.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.99 -45.94 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 179.64 -50.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -104.51 159.71 15.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.34 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -92.74 104.33 16.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.443 ' HB2' HD21 ' A' ' 407' ' ' LEU . 78.1 m95 -103.76 158.02 16.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.71 138.23 23.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.859 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -83.11 133.07 35.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -113.5 -36.36 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -159.92 157.88 29.15 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -144.82 146.18 31.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -107.8 158.01 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -124.44 138.01 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.083 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.19 140.44 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.11 95.64 8.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 131.54 -35.59 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.564 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -77.33 121.64 84.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.545 0.212 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.21 -13.45 28.36 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.368 2.045 . . . . 0.0 112.65 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -112.55 90.74 15.3 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.75 151.4 15.13 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.476 2.117 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -86.25 154.24 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . 0.401 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 71.4 m -144.55 157.98 43.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 430' ' ' SER . 14.0 m-85 -137.96 121.75 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.95 -177.9 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.66 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.84 132.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.138 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 17.2 t -70.24 102.44 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.582 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -98.26 70.41 2.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.537 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.939 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.17 151.29 37.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.681 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.939 ' HD2' HG22 ' A' ' 436' ' ' THR . 73.8 Cg_exo -48.78 93.52 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.449 2.099 . . . . 0.0 112.369 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.4 -24.31 27.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.719 ' SG ' HG23 ' A' ' 441' ' ' VAL . 39.8 t -96.52 136.53 36.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.819 0.342 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -138.61 61.89 0.57 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.719 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.7 t -85.41 140.96 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 111.265 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 19.0 mmm-85 -117.14 144.9 44.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.421 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 2.5 pttt -142.14 143.23 32.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.657 ' O ' HG23 ' A' ' 457' ' ' THR . 60.7 m80 -110.82 148.84 31.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.799 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 27.7 t -127.55 102.46 9.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.662 ' O ' HG12 ' A' ' 456' ' ' VAL . 0.5 OUTLIER -113.1 113.83 25.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.432 ' HG3' HG13 ' A' ' 455' ' ' VAL . 0.6 OUTLIER -91.94 109.08 20.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.134 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -71.25 112.75 7.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.05 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.54 -30.86 26.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.1 t -55.2 -23.73 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.313 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.34 162.45 20.83 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.594 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.92 -33.23 50.8 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.467 2.112 . . . . 0.0 112.105 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 179.96 75.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.73 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.134 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -104.83 135.9 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.217 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.432 HG13 ' HG3' ' A' ' 447' ' ' ARG . 24.4 t -134.98 84.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.132 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 446' ' ' GLU . 9.4 p -77.61 144.47 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 444' ' ' HIS . 21.0 m -143.78 129.43 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 22.6 m -104.71 146.99 28.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -120.95 128.41 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -127.73 117.89 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.73 174.42 22.25 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -130.96 157.02 44.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -86.94 137.61 32.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -125.82 30.85 5.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' A' ' 436' ' ' THR . 11.7 p80 -142.21 156.66 45.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.89 162.43 21.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.2 mt -80.11 113.22 36.76 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.89 -178.05 3.26 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.432 2.088 . . . . 0.0 112.32 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.08 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 399' ' ' VAL . 14.8 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.833 0.349 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.75 84.17 2.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 402' ' ' THR . 2.8 p -110.35 30.55 6.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 401' ' ' THR . 0.9 OUTLIER -167.34 -64.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 54.7 p -115.41 147.51 40.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 97.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 405' ' ' VAL . 14.4 p -81.83 121.34 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -101.56 -31.61 10.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.846 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.479 HD23 ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -81.37 104.39 11.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 112.25 24.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -76.45 112.1 12.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -111.35 -40.35 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -161.12 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -84.68 159.45 20.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.56 107.19 17.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.456 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 51.2 m95 -104.52 172.76 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.037 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.4 153.36 21.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.729 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.05 143.3 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.032 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -137.51 -46.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -137.63 159.0 24.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.423 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.43 149.11 29.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -123.68 -177.15 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.796 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 422' ' ' VAL . 10.1 p -132.42 155.74 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 421' ' ' VAL . 16.4 t -124.92 144.97 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.024 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 108.13 19.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 113.69 -42.67 1.88 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.569 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -74.7 140.23 74.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.675 0.274 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.71 -41.27 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.531 2.154 . . . . 0.0 112.451 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.68 113.02 46.76 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.92 -169.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.457 2.105 . . . . 0.0 112.271 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.445 ' HD2' HG22 ' A' ' 422' ' ' VAL . 4.9 mtt180 -119.14 110.23 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 9.5 m -99.46 159.62 14.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -140.33 118.21 11.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.479 ' CE2' HD23 ' A' ' 407' ' ' LEU . 28.2 m-85 -110.7 177.47 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -162.54 127.71 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.456 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 14.6 t -66.97 95.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.682 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.602 ' O ' HG23 ' A' ' 435' ' ' THR . 10.1 t -93.51 70.06 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.191 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.831 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 161.36 24.58 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.831 ' HD2' HG22 ' A' ' 436' ' ' THR . 69.8 Cg_exo -51.31 90.92 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.529 2.153 . . . . 0.0 112.253 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 101.28 -25.97 26.26 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.571 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.541 ' SG ' HG23 ' A' ' 441' ' ' VAL . 48.8 t -85.99 132.28 34.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.84 64.05 0.58 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.541 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.7 t -93.85 141.61 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.342 . . . . 0.0 111.086 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.0 121.86 38.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.43 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -117.04 163.3 16.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -130.56 125.23 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 22.7 t -102.08 118.7 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.038 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.545 ' HB2' HG13 ' A' ' 456' ' ' VAL . 3.5 mt-10 -126.15 133.46 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -107.51 117.91 35.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -84.28 123.23 29.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -83.46 -24.09 31.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -52.68 -36.54 57.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.248 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.0 162.38 21.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_exo -51.54 -29.36 31.73 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.489 2.126 . . . . 0.0 112.298 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -177.07 76.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.788 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.009 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -98.78 133.15 43.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.077 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.47 82.29 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.545 HG13 ' HB2' ' A' ' 446' ' ' GLU . 10.5 p -81.25 119.28 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.997 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 3.8 m -112.66 143.72 43.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.21 120.45 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -101.34 128.11 47.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -126.26 105.27 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 114.1 155.42 11.39 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -102.47 155.42 18.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -89.41 113.46 24.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -69.99 -25.39 63.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -94.06 129.9 40.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.77 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -58.42 169.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.125 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.51 111.79 6.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.804 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.64 176.74 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.486 2.124 . . . . 0.0 112.362 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.096 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.49 86.26 1.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.493 ' O ' HG23 ' A' ' 401' ' ' THR . 9.4 t -100.52 117.53 34.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.45 101.85 5.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.1 p -80.21 139.28 36.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.16 110.3 21.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.993 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 4.5 m -83.39 119.11 32.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -111.24 126.86 55.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.655 HD21 ' CD2' ' A' ' 432' ' ' TYR . 1.1 mm? -91.53 129.57 37.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 36.6 mt -88.0 54.4 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.47 -176.17 3.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.79 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -113.69 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 146.02 -53.29 0.56 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -60.53 139.31 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.75 106.31 15.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CD2' ' HD3' ' A' ' 443' ' ' LYS . 8.3 m95 -99.25 144.85 27.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.788 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -120.51 143.09 48.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -79.58 144.47 33.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.72 -47.3 0.37 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -121.47 160.8 15.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.69 150.29 15.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.962 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.8 mtmm -132.02 169.12 16.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.804 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.66 140.26 49.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.033 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.4 t -119.52 142.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 130.78 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 96.38 -32.64 6.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.468 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -88.31 111.82 45.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.532 0.206 . . . . 0.0 110.828 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.5 -13.24 38.47 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.426 2.084 . . . . 0.0 112.541 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.74 94.31 19.43 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.22 175.24 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.575 2.183 . . . . 0.0 112.289 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -104.17 133.35 49.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.7 m -121.07 154.07 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.755 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -128.18 137.86 52.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.655 ' CD2' HD21 ' A' ' 407' ' ' LEU . 42.7 m-85 -124.75 171.7 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.467 ' O ' HG23 ' A' ' 435' ' ' THR . 0.1 OUTLIER -154.67 128.97 9.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.17 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.6 t -63.39 103.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.691 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 433' ' ' LYS . 29.9 p -99.82 70.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.379 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.828 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.85 22.89 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.8 Cg_exo -52.58 89.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.478 2.119 . . . . 0.0 112.247 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.87 -25.09 28.6 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.599 ' SG ' HG23 ' A' ' 441' ' ' VAL . 51.9 t -85.6 131.81 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.934 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -134.38 62.91 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.375 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.599 HG23 ' SG ' ' A' ' 439' ' ' CYS . 29.5 t -92.04 154.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.372 . . . . 0.0 111.265 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 441' ' ' VAL . 20.8 mtm180 -128.31 148.4 50.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.436 ' HD3' ' CD2' ' A' ' 414' ' ' TRP . 2.4 ptmm? -140.91 159.86 41.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -122.47 122.81 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.737 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.48 136.91 47.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -142.16 136.08 29.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -100.12 89.57 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.03 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -60.14 117.72 5.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.55 -24.11 24.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.291 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 74.9 p -51.73 -38.31 54.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 111.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.97 163.61 18.05 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.75 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.42 -29.81 25.24 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.534 2.156 . . . . 0.0 112.285 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.91 77.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.807 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.03 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -100.26 130.97 46.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 24.8 t -127.57 93.55 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.2 p -89.92 127.49 42.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.082 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 4.5 m -127.14 146.28 50.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -129.81 145.18 51.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -113.16 143.68 43.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.38 87.38 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.85 165.49 12.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.87 152.9 25.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.32 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -85.47 146.45 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -127.21 29.97 5.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.604 ' CE1' HG21 ' A' ' 436' ' ' THR . 12.9 p80 -144.88 139.35 27.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -58.01 165.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.74 113.57 21.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.07 177.72 7.42 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.524 2.149 . . . . 0.0 112.395 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.051 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 120.849 0.357 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -157.76 90.72 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 33.6 p -99.24 177.79 5.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 2.0 m -152.48 127.51 9.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.029 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 8.1 m -113.57 147.18 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.952 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -65.93 100.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 6.6 m -71.45 117.81 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -92.1 54.87 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.414 ' HA ' HD22 ' A' ' 407' ' ' LEU . 0.2 OUTLIER -99.09 39.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.4 mp -64.84 121.95 15.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -59.97 119.09 7.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -139.53 31.29 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 178.23 -70.07 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.411 ' OH ' HD21 ' A' ' 467' ' ' LEU . 55.2 m-85 -128.02 154.83 45.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -81.25 96.92 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 66.7 m95 -98.51 158.75 15.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.78 151.61 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -94.1 131.94 39.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -126.49 -45.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.45 155.27 21.46 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.91 125.07 1.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.731 0.3 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.28 178.56 4.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.3 p -123.51 137.12 57.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 429' ' ' ARG . 21.6 t -89.19 155.36 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.181 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 422' ' ' VAL . 12.0 mmtm -98.07 89.63 4.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 129.37 -31.8 3.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.528 ' OD1' ' HB3' ' A' ' 449' ' ' ALA . 2.3 m-80 -89.11 112.1 49.03 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 110.831 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.87 -41.74 54.28 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.489 2.126 . . . . 0.0 112.375 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -75.02 113.05 20.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.06 -167.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.432 2.088 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 422' ' ' VAL . 1.0 OUTLIER -123.31 132.67 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.5 m -124.54 151.08 45.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -139.74 103.2 4.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -96.39 -179.31 4.59 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.03 122.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 45.9 t -65.06 101.74 0.55 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.614 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.6 t -98.41 80.5 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.299 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.843 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -99.92 164.15 17.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.843 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.1 Cg_exo -54.32 -30.8 64.29 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.499 2.132 . . . . 0.0 112.464 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -136.83 38.98 1.69 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.412 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.768 ' SG ' HG23 ' A' ' 441' ' ' VAL . 32.8 t -162.1 131.7 4.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -131.98 64.92 0.6 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.421 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.768 HG23 ' SG ' ' A' ' 439' ' ' CYS . 23.3 t -83.61 142.1 13.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.833 0.349 . . . . 0.0 111.181 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -120.24 124.42 45.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.43 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 13.1 pttp -123.24 132.85 54.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -102.92 129.26 49.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.67 107.02 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -117.82 114.38 23.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -94.46 103.63 15.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.939 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -65.39 110.53 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.528 ' HB3' ' OD1' ' A' ' 425' ' ' ASN . . . -85.75 -47.93 9.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 21.0 p -56.84 -31.57 64.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.58 158.22 66.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.697 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -66.91 68.07 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.493 2.129 . . . . 0.0 112.276 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 63.19 83.41 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.939 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -124.99 135.45 52.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.38 95.16 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.0 p -96.47 133.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.8 123.38 38.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.64 93.97 8.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.142 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -79.51 96.88 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -95.07 115.32 27.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 110.34 -170.61 14.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -145.6 147.39 32.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -83.61 114.02 21.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -98.26 35.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -148.31 143.77 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 153.48 40.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.792 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.411 HD21 ' OH ' ' A' ' 412' ' ' TYR . 12.8 mt -62.28 127.48 89.74 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.73 178.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.405 2.07 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.184 -0.912 . . . . 0.0 111.079 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.741 0.305 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -107.45 141.36 38.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 402' ' ' THR . 0.2 OUTLIER -153.24 168.4 26.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.054 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . 0.454 ' H ' HG22 ' A' ' 401' ' ' THR . 0.2 OUTLIER -84.87 -67.24 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 53.0 p -106.83 142.4 36.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -90.72 51.58 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 12.1 m -85.7 66.09 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.48 -31.51 21.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.956 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.77 88.68 7.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.1 tp -81.62 108.8 15.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -79.59 83.56 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.61 -48.32 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -85.72 -63.36 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -135.83 172.83 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.447 ' CD ' HG23 ' A' ' 436' ' ' THR . 4.9 mtt-85 -97.62 98.7 10.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -103.3 157.47 17.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -149.76 131.97 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -72.3 150.54 43.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.013 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.1 p90 -138.52 -46.5 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -143.58 124.86 2.38 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.11 154.91 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -128.56 134.39 48.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.783 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.2 p -101.27 148.53 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 29.6 t -127.68 119.21 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.04 129.08 37.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 98.42 -27.96 17.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -91.21 129.5 43.31 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 120.501 0.191 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.92 -17.98 19.3 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.515 2.143 . . . . 0.0 112.546 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -110.95 94.69 21.21 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.999 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.73 -174.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.536 2.157 . . . . 0.0 112.23 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 17.0 mtt85 -116.7 144.27 44.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.007 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 48.8 m -134.28 142.17 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -125.79 135.7 52.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -132.79 176.5 8.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 3.1 ptmm? -157.74 130.49 7.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.79 93.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.593 ' O ' HG23 ' A' ' 435' ' ' THR . 9.6 t -92.58 68.03 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.816 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -98.83 161.61 24.37 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.816 ' HD2' HG22 ' A' ' 436' ' ' THR . 61.0 Cg_exo -51.89 90.59 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.481 2.121 . . . . 0.0 112.368 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 102.01 -26.98 22.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 441' ' ' VAL . 28.8 t -84.05 127.97 34.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.879 0.371 . . . . 0.0 110.991 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -129.29 62.53 0.64 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.337 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.0 t -93.21 151.8 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -129.37 132.07 46.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -124.92 155.52 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -131.2 108.35 9.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.45 113.34 30.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -129.35 143.82 50.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.31 108.12 13.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.007 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -74.92 131.12 40.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.093 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -87.39 -22.26 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -51.14 -39.84 57.17 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.827 0.346 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.01 160.39 27.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.83 -26.79 14.35 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -177.17 77.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.007 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -92.04 109.06 20.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.28 89.3 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 12.1 p -98.88 129.92 48.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 16.3 m -128.73 138.69 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.5 m -112.23 150.62 30.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -136.7 122.7 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -119.42 102.05 8.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 112.96 136.52 6.62 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 31.3 mtmm -90.24 155.42 19.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.54 133.68 34.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -123.23 33.87 5.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -135.73 158.01 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.67 158.27 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 37.8 mt -72.75 113.37 20.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -69.03 -178.95 2.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.459 2.106 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.111 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.743 0.306 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -119.48 101.91 8.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 401' ' ' THR . 4.0 t -83.61 85.51 7.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 13.7 p -115.24 154.87 28.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.121 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 24.2 t -74.72 100.49 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.58 91.97 8.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 405' ' ' VAL . 12.1 p -89.49 112.73 24.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -132.93 123.98 26.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.15 110.92 21.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 408' ' ' LEU . 0.2 OUTLIER -64.83 122.11 16.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -58.75 110.46 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -112.78 -169.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -96.94 28.83 12.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' CE2' ' NE2' ' A' ' 463' ' ' HIS . 8.6 m-85 -154.93 175.22 14.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.5 mmt-85 -102.87 93.18 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.404 ' CE3' ' HD3' ' A' ' 443' ' ' LYS . 82.4 m95 -96.6 159.34 14.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 tpt85 -154.44 129.91 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -81.68 151.56 27.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 418' ' ' GLY . 52.4 p90 -133.29 -46.77 0.83 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD1' ' A' ' 417' ' ' TYR . . . -140.89 -172.62 13.09 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.595 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -167.81 165.61 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -124.99 156.59 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.4 p -121.82 137.91 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.427 HG21 ' NH1' ' A' ' 429' ' ' ARG . 20.7 t -121.73 126.97 75.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 122.13 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 111.18 -41.02 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -83.57 132.65 48.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.547 0.213 . . . . 0.0 110.782 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.59 -24.88 11.5 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.413 2.076 . . . . 0.0 112.395 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -100.43 107.13 46.64 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.009 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.32 -162.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.437 2.092 . . . . 0.0 112.18 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.427 ' NH1' HG21 ' A' ' 422' ' ' VAL . 16.5 mtt85 -126.86 121.68 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . 0.403 ' O ' ' CD1' ' A' ' 431' ' ' TYR . 0.7 OUTLIER -106.55 161.42 14.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 430' ' ' SER . 38.1 m-85 -152.45 99.27 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -91.24 -173.14 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -169.4 131.03 1.14 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 37.1 t -68.6 98.32 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 1.7 t -95.05 80.87 3.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.447 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.91 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.11 162.57 20.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 179.737 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.91 ' HD2' HG22 ' A' ' 436' ' ' THR . 51.7 Cg_exo -53.72 -27.19 41.52 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.492 2.128 . . . . 0.0 112.356 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -140.56 40.4 1.38 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.777 ' SG ' HG23 ' A' ' 441' ' ' VAL . 8.4 t -162.64 129.79 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.86 0.362 . . . . 0.0 110.584 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.45 62.23 0.64 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.563 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.777 HG23 ' SG ' ' A' ' 439' ' ' CYS . 40.2 t -81.29 154.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.428 ' N ' HG12 ' A' ' 441' ' ' VAL . 3.2 mtt180 -127.63 139.65 52.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.404 ' HD3' ' CE3' ' A' ' 414' ' ' TRP . 36.6 pttt -135.46 158.58 44.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -123.79 165.81 16.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.24 95.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.203 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.69 126.84 52.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.424 ' HG3' HG13 ' A' ' 455' ' ' VAL . 1.0 OUTLIER -107.39 92.23 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -59.59 124.78 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.46 -21.89 26.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.296 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 2.3 p -50.76 -34.27 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.354 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.04 163.69 17.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.693 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.56 -30.84 29.4 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.474 2.116 . . . . 0.0 112.294 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.17 80.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.781 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -101.13 134.6 43.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.424 HG13 ' HG3' ' A' ' 447' ' ' ARG . 22.0 t -134.16 80.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.5 p -76.29 129.5 37.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 7.5 m -109.35 154.11 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.84 142.75 49.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -130.57 114.8 15.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.32 109.84 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 113.94 154.46 11.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 144.87 34.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.433 ' NE2' ' CE2' ' A' ' 412' ' ' TYR . 88.8 m-70 -67.08 148.35 52.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -128.72 40.76 3.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.548 ' CE1' HG21 ' A' ' 436' ' ' THR . 8.8 p80 -162.18 166.26 25.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -84.72 151.5 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.803 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.422 ' H ' HD12 ' A' ' 467' ' ' LEU . 4.7 mp -60.8 134.3 92.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.831 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.21 -178.6 2.59 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.401 2.068 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.052 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.903 0.382 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.84 92.05 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 2.5 p -113.2 -34.46 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.15 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 69.4 p -134.63 -179.17 5.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 8.1 t -116.49 119.86 36.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.16 111.45 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 405' ' ' VAL . 5.9 m -66.58 97.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.237 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.54 -175.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.83 117.1 29.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.8 mt -88.72 126.6 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.94 91.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.42 -74.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -89.28 -70.88 1.25 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -131.55 173.21 11.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -89.12 96.53 10.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -102.22 171.2 7.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -157.81 143.15 16.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.52 127.76 34.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 45.5 p90 -112.21 -34.21 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -162.23 178.31 38.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -169.4 170.61 8.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.87 0.366 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.57 -175.38 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.91 142.45 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.73 128.88 44.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 112.45 15.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 109.17 -29.01 10.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.533 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -101.84 139.9 20.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.642 0.258 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -74.42 -33.84 5.1 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.492 2.128 . . . . 0.0 112.37 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -76.39 120.56 82.19 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.59 165.34 32.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.317 2.011 . . . . 0.0 112.294 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 155.1 19.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 51.0 m -136.62 135.35 38.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.784 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -121.29 124.44 44.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -123.71 175.51 6.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -166.04 134.9 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 19.9 t -73.34 93.98 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.582 ' O ' HG23 ' A' ' 435' ' ' THR . 9.2 t -92.18 71.16 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.281 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.777 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.08 163.28 18.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.777 ' HD2' HG22 ' A' ' 436' ' ' THR . 52.4 Cg_exo -52.83 89.4 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.539 2.16 . . . . 0.0 112.272 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.2 -26.98 22.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.545 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.6 ' SG ' HG23 ' A' ' 441' ' ' VAL . 49.1 t -85.89 134.12 33.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.338 . . . . 0.0 110.941 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -135.98 62.61 0.6 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.564 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.6 HG23 ' SG ' ' A' ' 439' ' ' CYS . 35.4 t -90.65 149.15 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.309 . . . . 0.0 111.107 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -128.56 149.48 50.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -143.42 154.38 43.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -124.74 120.52 32.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.5 t -100.41 100.23 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.08 138.34 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.83 117.68 34.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.978 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.071 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -81.39 118.65 22.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.82 -22.38 37.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.307 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.58 -41.2 61.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.917 0.389 . . . . 0.0 111.339 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.94 163.67 18.34 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.78 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -51.18 -27.87 23.94 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.585 2.19 . . . . 0.0 112.27 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.95 76.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.071 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -96.24 147.27 23.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.68 96.71 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 13.2 p -94.67 127.56 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.225 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -111.87 159.43 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.0 m -141.19 100.13 3.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -82.5 137.49 34.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -137.84 102.23 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.53 148.49 7.41 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.528 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 136.45 42.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -66.05 135.15 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -109.71 31.4 5.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -148.24 169.0 21.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -78.59 149.93 32.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.28 122.94 73.65 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.42 -178.43 2.96 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.4 2.067 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.239 -0.886 . . . . 0.0 111.054 -179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.93 0.395 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.91 81.19 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 1.6 m -59.33 -27.3 65.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 16.3 p -69.96 131.28 44.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.3 m -84.95 141.23 30.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.96 118.63 21.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.9 121.11 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -103.37 177.4 4.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 5.2 mt -79.66 84.48 5.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.2 tt -99.48 115.1 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -61.64 114.02 3.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -126.78 31.15 5.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.454 ' O ' HD23 ' A' ' 467' ' ' LEU . . . 139.66 -26.4 2.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.491 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -155.06 156.12 35.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.8 0.333 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.5 108.44 20.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.688 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -107.66 167.52 9.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -154.32 131.65 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.715 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -71.89 139.76 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -128.04 -45.64 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -132.19 151.72 19.96 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.28 138.77 46.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.318 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -125.29 157.17 37.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.44 HG22 ' N ' ' A' ' 422' ' ' VAL . 11.2 p -104.11 155.71 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.44 ' N ' HG22 ' A' ' 421' ' ' VAL . 31.9 t -126.59 134.38 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.83 108.52 18.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.12 23.49 9.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.617 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -138.37 125.58 13.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.566 0.222 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.43 -18.68 25.93 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.362 2.041 . . . . 0.0 112.446 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -109.59 96.4 23.15 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.982 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -50.86 157.79 3.51 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.497 2.131 . . . . 0.0 112.283 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -78.62 145.53 34.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.58 123.75 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -106.43 139.85 40.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -129.0 -177.78 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.757 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 29.3 pttt -165.26 125.41 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.68 96.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.711 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 435' ' ' THR . 9.2 t -94.25 70.79 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.369 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.785 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.06 166.82 12.02 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.699 179.756 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.0 Cg_exo -53.93 88.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.374 2.049 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 100.05 -24.75 30.93 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.554 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.661 ' SG ' HG23 ' A' ' 441' ' ' VAL . 53.7 t -82.55 128.71 34.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.994 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -130.43 62.72 0.64 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.239 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.661 HG23 ' SG ' ' A' ' 439' ' ' CYS . 32.9 t -90.28 158.43 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.952 0.406 . . . . 0.0 111.233 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.491 ' N ' HG12 ' A' ' 441' ' ' VAL . 6.3 mmt85 -132.0 141.17 49.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -136.71 161.75 35.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -127.44 119.22 25.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.7 t -101.43 111.65 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.523 ' HB2' HG13 ' A' ' 456' ' ' VAL . 2.3 mt-10 -126.29 149.36 49.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -123.43 107.13 11.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.044 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -60.32 117.76 5.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.045 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -81.8 -49.58 10.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 6.3 p -55.1 -33.49 62.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.98 0.419 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.0 158.37 64.76 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.06 65.38 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.475 2.117 . . . . 0.0 112.256 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 64.78 78.6 0.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.044 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -108.23 134.21 51.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.84 94.7 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 446' ' ' GLU . 12.1 p -96.68 125.49 49.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 2.5 m -131.76 123.23 27.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.2 m -109.6 146.88 33.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -111.19 167.71 10.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.966 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -157.66 91.87 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.959 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 135.01 -167.17 24.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.457 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -139.66 136.2 34.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -74.92 128.82 36.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -117.47 30.11 7.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.71 ' CE1' HG21 ' A' ' 436' ' ' THR . 13.9 p80 -143.24 18.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.277 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 54.81 -178.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.867 0.365 . . . . 0.0 111.081 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 411' ' ' GLY . 1.1 mt -92.04 114.42 62.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -75.09 -170.41 0.78 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.442 2.095 . . . . 0.0 112.299 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.094 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.867 0.365 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -114.22 119.63 37.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 8.1 t -160.46 125.69 3.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.223 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.59 124.76 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 52.3 p -82.21 145.19 30.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -89.69 115.05 26.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 405' ' ' VAL . 12.1 m -79.3 81.17 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -104.51 123.31 47.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 4.6 mt -68.4 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.51 178.77 4.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -85.21 128.34 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -164.79 35.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 136.36 -79.04 0.32 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.515 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -107.81 175.91 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.96 95.92 5.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.415 ' CZ3' ' HD3' ' A' ' 443' ' ' LYS . 63.4 m95 -98.98 164.15 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -155.62 153.98 30.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.03 128.87 43.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -112.08 -32.91 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -161.58 139.89 6.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -129.16 119.85 24.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -87.62 175.16 8.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.38 139.6 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.5 t -116.27 120.43 64.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -61.15 114.68 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 114.01 -27.8 8.86 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.525 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -88.33 132.98 37.63 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.653 0.263 . . . . 0.0 110.799 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.08 -26.24 9.45 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.434 2.089 . . . . 0.0 112.393 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -107.17 100.06 30.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.28 173.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.532 2.155 . . . . 0.0 112.322 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 -80.22 146.93 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . 0.417 ' HB3' ' CE1' ' A' ' 432' ' ' TYR . 48.9 m -130.66 120.84 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.37 110.41 15.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 430' ' ' SER . 59.7 m-85 -107.72 -175.77 2.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.798 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 1.9 pttt -170.05 135.06 1.32 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 9.2 t -73.89 92.25 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.713 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.4 t -93.3 71.0 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.815 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.1 161.93 22.64 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.815 ' HD2' HG22 ' A' ' 436' ' ' THR . 55.2 Cg_exo -52.19 90.12 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.579 2.186 . . . . 0.0 112.178 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.09 -24.43 30.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.521 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.564 ' SG ' HG23 ' A' ' 441' ' ' VAL . 43.4 t -88.27 133.7 33.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.21 62.78 0.6 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.336 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.564 HG23 ' SG ' ' A' ' 439' ' ' CYS . 26.5 t -93.94 158.59 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.488 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.3 OUTLIER -134.19 149.79 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.885 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.415 ' HD3' ' CZ3' ' A' ' 414' ' ' TRP . 2.4 pttp -146.97 131.63 17.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -98.02 119.99 37.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.823 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -105.89 94.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.48 139.51 39.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -112.49 118.08 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -69.51 116.89 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.65 -45.84 10.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -36.99 72.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 158.08 77.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.753 179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.28 66.2 0.69 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.576 2.184 . . . . 0.0 112.195 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.9 tttm 67.42 85.77 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.799 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.014 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.92 103.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 456' ' ' VAL . 11.0 p -99.68 112.82 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.45 147.64 29.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.206 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.21 129.18 43.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -110.24 126.33 54.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -124.45 113.42 18.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.42 175.22 22.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.536 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -122.62 164.53 18.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -93.07 121.32 34.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.7 -27.03 37.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -90.45 163.88 14.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -86.11 -174.43 5.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.1 mt -81.55 113.4 41.83 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.44 -178.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.46 2.107 . . . . 0.0 112.246 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.108 -179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 20.5 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.89 0.376 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -109.33 87.74 2.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 15.1 p -94.11 -32.44 13.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.84 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.045 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 31.6 m -138.36 102.98 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -97.11 39.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 28.4 t -92.0 82.28 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -103.31 130.91 50.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.502 ' C ' HD23 ' A' ' 407' ' ' LEU . 6.7 tt -73.3 120.77 19.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.418 ' N ' HD23 ' A' ' 407' ' ' LEU . 0.8 OUTLIER -80.88 78.7 7.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . 0.492 ' HB2' HD22 ' A' ' 407' ' ' LEU . 13.6 t70 -87.1 145.06 26.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.14 87.21 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.784 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 106.52 -88.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.56 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -72.4 151.0 42.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.64 111.88 23.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 77.5 m95 -107.37 161.02 15.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.15 141.25 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.02 136.71 36.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -130.18 -46.15 1.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -135.97 171.49 22.73 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -167.37 132.26 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -105.64 157.39 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.975 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 12.5 p -127.32 134.94 64.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.401 HG21 ' CZ ' ' A' ' 429' ' ' ARG . 26.9 t -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 128.07 34.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 99.31 -28.28 16.13 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.532 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.26 111.37 33.27 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.536 0.207 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.39 -14.2 41.83 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.357 2.038 . . . . 0.0 112.601 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -110.69 94.23 19.07 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -49.98 169.66 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.556 2.171 . . . . 0.0 112.39 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.401 ' CZ ' HG21 ' A' ' 422' ' ' VAL . 58.2 mtt180 -105.33 119.94 40.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 73.8 m -104.89 146.43 29.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -130.37 116.0 17.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -108.03 173.88 6.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.733 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.96 127.11 6.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.067 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.446 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 13.5 t -70.87 97.47 1.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.763 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -95.45 70.37 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.94 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.2 OUTLIER -100.15 156.19 35.56 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.734 179.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.94 ' HD2' HG22 ' A' ' 436' ' ' THR . 76.5 Cg_exo -50.22 98.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.556 2.171 . . . . 0.0 112.432 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 96.91 -25.3 27.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.716 ' SG ' HG23 ' A' ' 441' ' ' VAL . 36.6 t -92.52 135.09 34.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.869 0.366 . . . . 0.0 110.911 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -136.76 62.02 0.6 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.192 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.716 HG23 ' SG ' ' A' ' 439' ' ' CYS . 25.5 t -87.39 158.92 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.863 0.363 . . . . 0.0 111.292 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 441' ' ' VAL . 15.3 mtm180 -140.22 142.06 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.429 ' HD3' ' CH2' ' A' ' 414' ' ' TRP . 14.2 pttt -141.3 143.26 33.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -114.35 116.22 28.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 24.4 t -95.31 106.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.477 ' HB2' HG13 ' A' ' 456' ' ' VAL . 9.1 mt-10 -121.29 135.14 55.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 14.1 mtm-85 -98.77 124.07 43.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -70.37 108.11 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.59 -54.6 5.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 32.3 p -55.57 -45.98 77.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.038 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.512 ' HB2' ' HB1' ' A' ' 448' ' ' ALA . 0.1 OUTLIER -64.26 158.46 64.66 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.622 179.841 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -67.05 66.56 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.621 2.214 . . . . 0.0 112.209 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.59 81.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.837 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -125.15 160.84 28.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 102.25 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 446' ' ' GLU . 9.8 p -95.41 147.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 5.3 m -144.83 147.38 32.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 17.7 m -129.7 112.59 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -95.06 145.67 24.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -142.54 111.79 6.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.4 158.51 23.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.68 166.19 10.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -89.1 139.25 30.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.71 33.73 5.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CE1' HG21 ' A' ' 436' ' ' THR . 5.9 p80 -153.86 153.26 31.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.37 158.56 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.99 109.74 2.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.44 -170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.049 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.808 0.337 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -107.63 128.23 54.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 402' ' ' THR . 0.3 OUTLIER -128.67 -70.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . 0.726 HG23 ' O ' ' A' ' 401' ' ' THR . 0.7 OUTLIER -169.95 95.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.104 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 1.3 m -91.28 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.82 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -74.93 79.67 2.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . 0.588 ' O ' HG23 ' A' ' 405' ' ' VAL . 19.7 m -71.54 89.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -75.11 -31.5 61.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.813 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.75 HD21 ' CE2' ' A' ' 432' ' ' TYR . 40.0 mt -70.34 122.3 19.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -86.94 127.69 35.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -78.99 103.68 9.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -107.56 -33.55 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -178.57 -61.39 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -79.62 177.36 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -121.61 105.64 10.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.444 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 57.5 m95 -102.67 162.9 12.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -156.27 138.64 14.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.422 ' HD3' ' CE2' ' A' ' 432' ' ' TYR . 0.2 OUTLIER -68.21 146.77 53.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -138.72 -47.04 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -134.39 138.49 10.09 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.565 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.71 109.77 5.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 169.32 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.9 p -126.41 148.69 31.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 21.2 t -106.0 138.88 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.083 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 22.2 mtmt -77.74 94.67 4.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 135.22 -49.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -75.85 134.49 71.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.518 0.199 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.69 -29.53 8.7 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.464 2.109 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -82.6 122.1 78.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.75 169.37 21.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.515 2.143 . . . . 0.0 112.22 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 42.7 mtt180 -108.53 104.56 13.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.5 m -98.74 144.57 27.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -132.58 135.18 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.75 ' CE2' HD21 ' A' ' 407' ' ' LEU . 62.0 m-85 -116.43 178.97 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.719 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -166.27 130.6 2.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.144 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 6.7 t -66.35 98.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.748 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.7 t -95.42 69.04 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.331 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.866 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.02 158.74 31.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.866 ' HD2' HG22 ' A' ' 436' ' ' THR . 53.2 Cg_exo -52.6 89.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.439 2.093 . . . . 0.0 112.289 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 105.45 -27.18 19.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.691 ' SG ' HG23 ' A' ' 441' ' ' VAL . 52.4 t -85.89 128.4 34.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.846 0.355 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -128.79 62.96 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.544 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.691 HG23 ' SG ' ' A' ' 439' ' ' CYS . 21.6 t -91.62 142.06 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.763 0.316 . . . . 0.0 110.995 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -125.18 132.47 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -129.33 157.57 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -125.82 143.35 51.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 23.0 t -124.99 84.58 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -84.9 153.2 23.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -127.97 97.16 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -67.52 130.91 44.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.17 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -89.63 -20.82 23.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.335 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -51.62 -37.39 49.92 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.865 0.364 . . . . 0.0 111.329 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.96 163.68 17.91 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -51.08 -28.08 23.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 76.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.932 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -90.99 126.49 36.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 27.9 t -127.87 85.39 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 11.1 p -84.54 141.2 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 23.9 m -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.39 132.04 44.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -115.4 123.58 49.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -123.07 119.79 31.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 106.01 165.65 23.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 36.1 mttt -115.57 157.87 23.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.761 0.315 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -81.38 142.88 32.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -116.5 31.26 6.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.401 ' CE1' HG21 ' A' ' 436' ' ' THR . 6.1 p80 -153.71 143.65 21.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -62.57 159.56 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.978 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 13.3 mt -67.73 112.24 9.86 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.8 -177.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.453 2.102 . . . . 0.0 112.426 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.887 . . . . 0.0 111.045 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' VAL . . . . . . . . . . . . . 19.9 t . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.822 0.344 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -109.38 155.84 20.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' THR . . . . . . . . . . . . . 82.4 p -148.73 94.61 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.57 91.24 3.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' SER . . . . . . . . . . . . . 84.0 p -100.09 31.58 3.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -81.56 100.12 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.39 68.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -107.03 -31.97 8.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.782 HD21 ' HB2' ' A' ' 414' ' ' TRP . 0.0 OUTLIER -92.33 117.63 30.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.523 ' H ' HD12 ' A' ' 408' ' ' LEU . 3.6 mp -86.02 95.88 9.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -59.81 113.66 2.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -124.72 -44.21 1.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -138.15 -68.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -90.91 174.51 7.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.805 0.336 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -120.6 105.96 11.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.782 ' HB2' HD21 ' A' ' 407' ' ' LEU . 13.4 m95 -103.87 158.95 16.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.36 147.54 38.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.32 141.37 29.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 54.4 p90 -127.18 -46.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.431 ' N ' ' CD2' ' A' ' 417' ' ' TYR . . . -144.86 175.84 24.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.91 142.44 33.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.411 ' HB2' ' CE2' ' A' ' 431' ' ' TYR . 0.0 OUTLIER -112.65 169.33 8.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.791 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -129.89 146.5 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 19.7 t -125.59 117.75 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -65.83 115.25 5.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 120.47 -49.0 0.9 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -83.07 130.26 57.99 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.605 0.24 . . . . 0.0 110.821 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -73.2 -29.53 11.47 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.441 2.094 . . . . 0.0 112.368 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.6 122.57 86.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.7 162.76 40.8 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.39 2.06 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -99.43 122.7 42.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 74.1 m -107.36 127.3 53.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 13.8 m-85 -103.13 145.18 30.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.472 ' CD1' HD11 ' A' ' 407' ' ' LEU . 84.7 m-85 -141.02 169.43 17.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.31 133.32 4.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.087 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 20.8 t -75.24 98.52 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 2.5 t -94.56 70.79 3.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.388 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -100.01 163.13 18.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.771 ' HD2' HG22 ' A' ' 436' ' ' THR . 51.6 Cg_exo -53.16 89.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.505 2.137 . . . . 0.0 112.286 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . 103.29 -28.0 17.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.63 ' SG ' HG23 ' A' ' 441' ' ' VAL . 53.4 t -85.05 134.36 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -137.2 62.93 0.58 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.63 HG23 ' SG ' ' A' ' 439' ' ' CYS . 28.8 t -86.65 155.79 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 111.036 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.444 ' N ' HG12 ' A' ' 441' ' ' VAL . 0.1 OUTLIER -141.46 120.93 13.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -117.7 160.78 20.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -123.3 124.23 42.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.4 t -106.28 112.53 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -133.82 141.51 47.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.42 ' HG2' HG13 ' A' ' 455' ' ' VAL . 12.5 mtt85 -103.98 121.86 44.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 1.008 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . . . -76.51 119.93 21.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.096 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -86.38 -28.09 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.244 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 81.3 p -51.91 -31.99 30.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.99 157.41 33.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.89 -24.17 23.34 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.181 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.56 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.785 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 1.008 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . . . -110.79 141.67 43.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.42 HG13 ' HG2' ' A' ' 447' ' ' ARG . 21.5 t -137.41 91.78 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.012 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 10.5 p -82.69 134.06 27.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 22.5 m -130.03 121.37 26.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.4 m -95.73 152.12 18.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -134.29 107.63 7.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -109.07 116.14 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 98.2 139.5 10.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.549 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -91.76 174.02 7.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -96.16 133.96 39.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -103.72 31.19 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -152.51 156.99 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.86 164.73 22.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.8 mt -70.53 123.21 88.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.65 169.5 20.9 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.457 2.104 . . . . 0.0 112.305 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.136 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_