data_2mv7_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 2mv7 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 501' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.16 32.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.681 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -45.56 -61.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.481 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 9.7 mp -43.87 -51.95 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 0.0 110.444 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . 0.425 ' O ' ' OE1' ' A' ' 509' ' ' GLU . 20.4 t70 -46.87 -50.53 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.98 -24.53 6.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.5 mt -85.94 -43.61 13.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.29 -60.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 509' ' ' GLU . 1.8 mp0 -49.93 -53.39 26.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.022 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.48 -51.49 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -51.76 -57.02 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.815 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -53.2 -53.07 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.57 -45.87 84.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 34.4 tpp -55.66 -38.71 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.547 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 72.9 p -93.05 -24.24 18.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.03 137.18 33.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 520' ' ' ARG . 7.9 tpm_? -125.98 -18.88 4.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.232 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 519' ' ' GLU . 0.0 OUTLIER -46.66 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.041 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 518' ' ' ARG . 79.4 mtm180 -60.76 -23.79 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -61.64 -33.05 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.63 -50.74 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.394 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 52.1 mt -47.43 -28.72 2.25 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.566 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -76.19 -41.5 49.38 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -65.94 -54.43 26.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.621 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 94.2 mt -54.76 -59.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.368 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 54.0 t -42.57 -63.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.609 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -51.48 -24.51 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.315 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -63.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.445 ' O ' ' OG1' ' A' ' 533' ' ' THR . 11.2 pt -70.08 -14.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 111.295 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.77 -49.4 21.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.219 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.55 -28.79 68.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 530' ' ' ILE . 37.2 p -69.78 -49.23 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.434 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 114.8 -10.37 21.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -75.78 55.73 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.221 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -147.88 159.07 44.25 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -140.12 100.1 3.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.092 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 39.3 mt -83.32 134.7 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 29.6 p -98.95 -160.02 0.78 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.867 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . 0.515 HD21 ' C ' ' A' ' 540' ' ' ASN . 0.4 OUTLIER -40.83 -67.94 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.643 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.84 76.41 1.43 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.486 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.51 165.37 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -124.16 100.35 6.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.079 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -105.79 142.04 36.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.907 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -154.33 149.67 27.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.943 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -103.46 139.47 38.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.956 0.408 . . . . 0.0 110.247 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -72.03 -22.74 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.323 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 32.3 m -77.55 -10.54 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.628 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 6.7 p -90.73 5.38 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.07 149.21 32.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.5 m-20 -92.62 142.29 27.54 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.837 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -40.64 -54.8 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -66.36 -22.97 66.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.583 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 551' ' ' ASP . 66.8 m -86.71 -22.96 25.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 551' ' ' ASP . 54.6 t -71.53 -39.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.295 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . 0.52 ' NH2' ' OE1' ' A' ' 559' ' ' GLN . 6.2 mmp_? -63.99 -28.26 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -85.37 -27.19 26.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.033 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -50.17 37.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.194 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.52 ' OE1' ' NH2' ' A' ' 556' ' ' ARG . 57.1 mt-30 -67.25 -28.1 67.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.0 t -65.18 -48.75 72.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -47.38 -57.08 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.975 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.551 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.008 0.433 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 5.9 mt -133.59 88.05 35.08 Favored Pre-proline 0 C--N 1.33 -0.24 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.02 131.33 10.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 121.183 1.256 . . . . 0.0 111.467 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 70.1 t -126.08 114.01 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.7 p -93.69 129.17 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . 0.421 HD11 HG22 ' B' ' 883' ' ' ILE . 88.1 mt -123.74 113.39 28.7 Favored Pre-proline 0 N--CA 1.47 0.539 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.71 123.12 3.67 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.548 1.499 . . . . 0.0 111.708 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.43 -14.05 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.69 -23.39 49.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 19.8 m -84.52 -18.18 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.403 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.34 -170.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.164 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.0 t -140.65 118.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.078 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.537 0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.241 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.4 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.1 66.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -45.29 -61.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.45 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.2 mp -44.5 -50.05 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.94 -43.89 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.39 -24.42 63.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.1 -44.96 13.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.98 -56.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.81 -53.01 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.974 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.94 -53.31 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -49.71 -56.77 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.311 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -51.84 -55.32 20.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.557 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.06 -38.23 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.3 -46.46 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 8.5 ttt -51.39 -39.44 57.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.401 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.6 p -90.16 -22.85 21.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 52.2 tp -53.62 136.34 39.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.454 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -136.29 3.93 2.88 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -72.45 84.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -42.17 -29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . 0.406 ' HD1' ' C ' ' A' ' 521' ' ' HIS . 2.0 t-80 -53.7 -44.27 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 522' ' ' ILE . 1.5 mp -80.47 -50.51 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.464 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 14.7 mt -45.99 -28.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.3 -43.05 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.719 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.92 -53.02 56.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 529' ' ' LEU . 71.4 mt -56.55 -59.93 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 54.2 t -41.65 -58.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.739 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.94 -22.18 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -68.82 -61.33 1.85 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.334 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 533' ' ' THR . 2.5 pp -67.95 -48.45 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . 0.44 ' N ' ' CD1' ' A' ' 530' ' ' ILE . 13.2 tm-20 -40.39 -43.33 1.76 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.109 0.481 . . . . 0.0 109.806 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -62.11 -42.38 99.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.959 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 530' ' ' ILE . 57.2 p -69.94 -53.26 18.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . 0.525 ' C ' ' HD1' ' A' ' 535' ' ' HIS . . . 127.66 -154.68 19.76 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.525 ' HD1' ' C ' ' A' ' 534' ' ' GLY . 6.5 m80 61.68 58.59 1.98 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.441 -0.379 . . . . 0.0 111.465 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 31.0 p90 -148.34 157.68 43.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 109.905 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.6 93.58 2.98 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.081 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.2 mt -93.28 130.13 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.593 ' HG1' ' H ' ' A' ' 540' ' ' ASN . 12.1 t -148.48 170.2 18.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . 0.593 ' H ' ' HG1' ' A' ' 539' ' ' THR . 8.4 m120 41.93 -99.84 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.111 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 52.3 p -152.04 75.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.112 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.51 163.93 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.759 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . 0.436 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 16.8 t80 -125.13 103.65 8.1 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.413 ' OD2' ' OG ' ' B' ' 882' ' ' SER . 0.9 OUTLIER -105.04 142.11 35.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.833 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . 0.436 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 16.8 p90 -154.58 151.23 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.855 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 546' ' ' ASP . 6.2 p-10 -101.16 143.91 30.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.3 mm? -77.86 -11.36 59.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.323 . . . . 0.0 110.573 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 7.2 t -87.42 -9.41 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.98 2.83 50.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.041 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 17.3 mt -84.57 156.76 21.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.327 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 552' ' ' LYS . 28.0 t0 -103.73 154.82 19.13 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 551' ' ' ASP . 46.9 mtpt -55.41 -33.79 63.82 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.535 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.4 m -78.89 -27.67 43.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.975 0.417 . . . . 0.0 110.29 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.1 m -87.33 -24.51 24.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.682 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.93 -31.07 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' A' ' 559' ' ' GLN . 17.9 mmt-85 -71.5 -30.41 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -84.06 -26.25 29.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.353 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.9 mt -79.74 -48.44 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.963 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 556' ' ' ARG . 87.4 mt-30 -61.57 -29.39 69.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 562' ' ' LEU . 37.4 t -65.32 -50.63 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.351 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -46.21 -18.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.801 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 560' ' ' SER . 8.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 9.6 mt -138.54 87.81 14.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.95 131.02 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 121.191 1.26 . . . . 0.0 111.436 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.4 t -130.37 110.82 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 882' ' ' SER . . . . . 0.413 ' OG ' ' OD2' ' A' ' 544' ' ' ASP . 4.8 m -94.92 130.68 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.118 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.19 113.22 31.19 Favored Pre-proline 0 N--CA 1.469 0.521 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.53 132.61 7.27 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.62 1.546 . . . . 0.0 112.134 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.77 -13.32 42.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.1 -27.44 54.11 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 53.1 m -84.59 -12.69 53.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.485 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.94 -171.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.392 . . . . 0.0 110.074 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.52 124.42 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.902 179.675 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.9 tttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . 0.427 ' O ' ' OE2' ' A' ' 506' ' ' GLU . . . -55.43 -57.63 11.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.604 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -44.86 -61.49 1.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 6.7 tp -44.92 -43.1 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.51 -48.29 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . 0.447 ' N ' ' OE1' ' A' ' 506' ' ' GLU . 0.3 OUTLIER -54.73 -25.59 28.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.095 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.17 -44.92 14.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.77 -62.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.33 -57.63 3.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.27 -53.39 58.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -47.88 -62.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -49.02 -50.49 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -63.67 -36.59 84.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.63 -45.09 95.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.6 tpt -54.17 -38.71 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.5 p -90.68 -24.7 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 35.4 tp -51.24 117.1 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.587 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.1 tpt180 -110.04 -16.11 13.89 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -54.7 82.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mtm105 -50.09 -25.09 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.721 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.34 -30.43 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 18.3 mm -88.18 -50.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 111.356 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 10.2 mp -46.83 -27.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.483 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -73.74 -46.46 45.77 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.124 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -63.73 -51.73 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 529' ' ' LEU . 90.7 mt -57.19 -60.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 56.1 t -41.78 -61.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -56.79 -23.82 46.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.297 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -70.2 -62.23 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.49 -179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.539 ' O ' ' N ' ' A' ' 533' ' ' THR . 1.9 pp -67.35 -43.82 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 0.0 110.523 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 536' ' ' PHE . 48.8 tp10 -43.06 -47.32 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.72 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -60.03 -28.78 68.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.238 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 530' ' ' ILE . 4.0 m -69.76 -50.54 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 117.55 -13.44 13.43 Favored Glycine 0 N--CA 1.468 0.789 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -73.92 59.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.295 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 531' ' ' GLU . 26.6 p90 -145.91 156.24 43.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.751 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' A' ' 537' ' ' HIS . 5.6 p80 -138.59 94.04 2.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.99 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.1 138.0 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.42 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 541' ' ' THR . 44.1 p -145.61 158.34 43.86 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 44.16 -97.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 539' ' ' THR . 18.5 p -151.45 76.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.0 165.67 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . 0.55 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 67.4 t80 -124.18 104.07 8.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.19 143.88 41.24 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . 0.55 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 10.1 p90 -154.58 152.15 29.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.994 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -102.82 145.12 30.25 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.91 -12.9 59.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 9.3 t -84.35 -16.52 42.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.598 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 7.9 t -88.07 11.02 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 57.9 mt -86.15 148.18 25.8 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.643 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.5 m-20 -93.08 136.77 33.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.963 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -40.46 -51.57 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.5 m -66.62 -25.4 66.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 551' ' ' ASP . 94.2 m -87.16 -20.02 27.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 551' ' ' ASP . 72.5 t -76.23 -29.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -73.02 -27.21 61.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -85.2 -23.92 28.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.112 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 45.7 mt -81.49 -66.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -43.89 -29.67 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.8 m -63.25 -43.86 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.559 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -53.15 -24.25 10.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.023 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.219 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . 0.421 ' CB ' ' NZ ' ' B' ' 878' ' ' LYS . 9.3 mtmp? . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.858 0.361 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 18.8 mt -144.89 87.74 7.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.87 139.53 13.9 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 121.651 1.567 . . . . 0.0 112.133 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' B' ' 882' ' ' SER . 95.3 t -125.37 163.98 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.154 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 882' ' ' SER . . . . . 0.456 ' N ' ' CG1' ' B' ' 881' ' ' VAL . 4.2 m -149.43 129.13 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.366 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 47.6 mt -134.55 135.23 23.27 Favored Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.54 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.98 133.54 25.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.387 1.391 . . . . 0.0 111.071 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 30.2 mt -60.7 -13.31 14.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.492 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.08 -24.95 51.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.229 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 22.9 p -87.05 -12.52 47.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.4 m -140.06 -169.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.107 0.48 . . . . 0.0 109.846 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.9 108.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.585 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.538 0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.079 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 8.3 mtmp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -75.76 -40.38 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -45.07 -61.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.466 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.0 mp -44.08 -51.29 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.48 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 505' ' ' ASP . 0.8 OUTLIER -48.31 -44.02 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.692 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.02 -26.19 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.9 mt -83.73 -44.96 13.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.72 -55.85 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -55.37 -52.01 64.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.141 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.88 -53.65 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -51.25 -56.71 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -51.45 -55.21 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.561 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -58.95 -40.67 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.005 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.32 -45.67 92.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.737 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 7.9 ttt -51.55 -39.27 57.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.681 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 59.5 p -91.99 -23.1 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 43.5 tp -52.72 129.03 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.756 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -136.56 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.008 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -141.01 88.83 2.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -45.24 -23.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.222 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -63.2 -40.0 96.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.995 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 524' ' ' GLN . 17.7 mm -87.1 -53.93 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 10.1 mp -44.9 -20.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.223 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 522' ' ' ILE . 26.2 tp60 -81.81 -41.58 20.89 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.942 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.82 -51.43 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' A' ' 526' ' ' ILE . 1.8 mp -57.33 -59.42 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 76.4 t -42.78 -59.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.39 -25.11 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -59.99 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.763 0.316 . . . . 0.0 110.814 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 531' ' ' GLU . 2.0 pp -70.17 -45.14 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.605 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . 0.521 ' OE1' ' CE2' ' A' ' 536' ' ' PHE . 50.0 mm-40 -44.38 -45.99 9.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.824 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.66 -37.07 86.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.8 m -69.13 -52.19 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.546 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 109.09 107.91 3.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 2.9 m-70 163.64 63.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . 0.521 ' CE2' ' OE1' ' A' ' 531' ' ' GLU . 30.7 p90 -153.64 160.97 42.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.206 0.527 . . . . 0.0 110.859 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -130.42 93.86 3.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.069 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 81.5 mt -93.38 131.75 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 541' ' ' THR . 6.1 p -146.63 165.75 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 42.25 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.99 0.424 . . . . 0.0 110.286 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 539' ' ' THR . 46.6 p -151.76 76.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.301 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.75 166.35 4.47 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.002 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -125.73 100.82 6.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.809 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 545' ' ' PHE . 36.8 t0 -104.01 142.24 34.78 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . 0.488 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 16.0 p90 -155.14 152.35 29.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.048 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -101.6 142.7 32.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.6 mm? -77.81 -11.65 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.6 t -88.6 -12.15 43.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 17.2 t -87.48 7.41 29.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.438 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.45 168.01 17.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.541 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.9 m-20 -118.4 137.54 53.06 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.72 -46.08 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.3 m -69.23 -30.67 68.87 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.63 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 551' ' ' ASP . 7.5 m -85.07 -22.52 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.471 ' CG1' ' OE1' ' A' ' 559' ' ' GLN . 53.5 t -69.07 -30.11 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.019 0.437 . . . . 0.0 109.931 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . 0.436 ' CA ' ' HE ' ' A' ' 556' ' ' ARG . 0.0 OUTLIER -72.36 -37.39 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -77.32 -23.01 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 110.231 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.18 -60.76 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.471 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 20.8 mt-30 -50.23 -27.77 6.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.366 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 29.9 t -66.06 -52.39 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -49.88 -38.47 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.335 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 -179.661 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt . . . . . 0 C--O 1.231 0.107 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 7.1 mt -133.58 88.01 35.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.71 132.91 11.14 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 121.231 1.287 . . . . 0.0 111.443 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.91 109.67 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.7 m -91.97 133.25 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 10.5 mt -125.4 113.08 25.72 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.34 133.66 6.68 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.636 1.557 . . . . 0.0 112.082 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.96 -13.8 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.776 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -75.2 -26.32 58.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.802 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 5.9 p -86.63 -10.4 53.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.72 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.61 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 121.127 0.489 . . . . 0.0 110.135 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . 0.431 ' H ' HE22 ' A' ' 524' ' ' GLN . 4.9 t -140.58 119.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.212 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.073 179.718 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.899 0.38 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -68.6 -48.2 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -45.48 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.446 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.2 mp -43.96 -49.76 8.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.867 0.365 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.43 -48.15 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.03 -24.61 17.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.41 -44.57 12.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.418 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.55 -58.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.97 -52.25 35.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.47 -52.1 65.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -48.52 -56.75 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.424 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.14 -53.34 51.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.683 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -57.12 -48.08 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.9 -41.02 86.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.679 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.4 tpt -55.68 -37.79 68.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.262 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.9 t -103.83 16.94 25.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 45.2 tp -92.99 117.0 29.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.855 0.359 . . . . 0.0 110.767 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.01 7.67 19.91 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.53 96.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.505 ' NH1' ' O ' ' B' ' 887' ' ' SER . 40.7 mtp85 -58.15 -23.51 55.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.247 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.22 -40.19 96.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.335 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.12 -49.71 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 120.55 0.214 . . . . 0.0 110.6 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.447 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 8.5 mp -45.55 -31.71 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.327 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.2 -40.67 59.06 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.732 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -66.57 -54.7 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 529' ' ' LEU . 86.8 mt -54.66 -59.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 64.5 t -41.65 -63.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.635 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 528' ' ' ASN . 0.8 OUTLIER -53.52 -20.46 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.531 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.3 OUTLIER -73.76 -65.26 0.85 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . . . . . . . . . 1.4 pp -66.14 -16.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.886 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -73.71 -48.88 28.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.84 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.53 -12.97 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.338 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 12.7 m -83.37 -47.82 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 108.54 -1.12 32.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.585 ' CE1' ' HG ' ' A' ' 549' ' ' SER . 3.9 t-80 -88.56 62.54 6.59 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 122.768 -0.254 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 28.3 p90 -144.24 157.62 44.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.21 0.528 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -131.65 94.16 3.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.825 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.82 135.3 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.456 ' HG1' ' N ' ' A' ' 540' ' ' ASN . 11.8 t -151.59 160.87 43.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.782 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . 0.456 ' N ' ' HG1' ' A' ' 539' ' ' THR . 27.0 t30 44.26 -97.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.294 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.7 77.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.227 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.09 159.62 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . 0.505 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 57.3 t80 -121.29 100.54 7.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.45 142.65 34.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.197 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 36.5 p90 -157.55 162.03 38.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.674 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -111.26 149.45 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.57 -30.47 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.977 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.31 -6.04 43.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.729 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' SER . . . . . 0.585 ' HG ' ' CE1' ' A' ' 535' ' ' HIS . 36.4 m -90.91 4.86 50.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.93 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 29.3 mt -86.3 144.79 27.21 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 554' ' ' THR . 7.8 m-20 -88.68 144.56 26.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 12.6 mptt -41.56 -54.7 3.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.757 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.7 m -66.24 -22.65 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.441 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 551' ' ' ASP . 61.1 m -85.98 -25.98 25.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.528 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.4 t -64.7 -35.71 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -62.75 -43.92 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.556 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 557' ' ' LYS . 0.5 OUTLIER -72.86 -28.91 62.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.096 0.474 . . . . 0.0 110.191 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -54.35 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.372 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.44 ' NE2' ' CG1' ' A' ' 555' ' ' VAL . 70.7 mt-30 -65.79 -27.04 67.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 562' ' ' LEU . 15.1 t -67.24 -48.0 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.937 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 557' ' ' LYS . 29.7 m-85 -47.84 -16.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.009 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 560' ' ' SER . 13.9 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.863 0.363 . . . . 0.0 110.702 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 33.5 mttp . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 16.2 mt -144.42 92.24 6.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.67 145.13 16.05 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.462 1.441 . . . . 0.0 112.494 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.61 107.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 74.0 p -95.63 127.74 41.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 15.2 mt -124.36 112.97 27.79 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.81 124.56 4.62 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.616 1.544 . . . . 0.0 111.921 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 34.1 mt -55.69 -12.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.87 -22.55 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 887' ' ' SER . . . . . 0.505 ' O ' ' NH1' ' A' ' 520' ' ' ARG . 45.1 t -86.93 -18.96 29.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.43 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.6 m -134.87 -170.69 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.045 0.45 . . . . 0.0 110.208 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.1 t -140.76 108.29 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.64 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 4.0 mm? . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.089 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.81 -43.0 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -44.5 -56.48 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.427 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.1 mp -46.08 -47.29 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.299 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -50.04 -40.01 43.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.78 -25.23 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.85 -46.07 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.16 -57.34 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -47.02 -53.59 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.229 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.75 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -50.76 -55.65 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.152 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -57.27 -55.63 32.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.39 -52.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.611 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.55 -36.12 63.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 9.1 tpt -58.8 -37.75 77.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.554 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 518' ' ' ARG . 22.8 p -106.9 17.02 23.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.548 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 28.2 tp -93.5 119.38 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.7 mpt_? -101.41 -25.59 13.88 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.013 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -50.16 86.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 518' ' ' ARG . 4.9 ptp85 -52.55 -38.08 59.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.367 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -43.77 -31.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.412 HD13 HG22 ' A' ' 522' ' ' ILE . 13.1 mm -87.05 -55.74 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 111.167 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 9.9 mp -47.69 -27.87 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.785 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -76.46 -42.48 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -65.56 -48.59 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.85 -57.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.617 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 41.4 t -42.76 -63.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.91 0.386 . . . . 0.0 110.59 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -52.29 -27.1 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.724 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.98 -63.34 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.312 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.436 ' O ' ' OG1' ' A' ' 533' ' ' THR . 13.4 pt -65.99 -14.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.829 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -73.32 -47.56 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.303 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 532' ' ' GLU . 0.4 OUTLIER -59.31 -22.93 61.97 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.595 ' HG1' ' H ' ' A' ' 535' ' ' HIS . 36.2 p -75.79 -47.91 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.26 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 107.19 2.49 35.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.595 ' H ' ' HG1' ' A' ' 533' ' ' THR . 9.8 m-70 -87.24 57.52 4.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.467 0.175 . . . . 0.0 111.018 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -146.86 160.1 42.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.934 0.397 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -136.77 105.64 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.9 134.08 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.503 ' HG1' HD21 ' A' ' 540' ' ' ASN . 2.3 t -147.03 163.69 35.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.716 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . 0.503 HD21 ' HG1' ' A' ' 539' ' ' THR . 62.5 m-80 42.1 -98.14 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 539' ' ' THR . 44.5 p -151.96 76.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.26 165.6 4.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.555 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -122.57 99.95 6.67 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.766 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.57 141.13 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.672 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -154.76 150.0 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' A' ' 549' ' ' SER . 17.3 m-20 -96.99 150.33 20.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.4 mm? -82.14 -41.62 20.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.238 0.542 . . . . 0.0 109.734 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 30.4 t -62.91 -2.6 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.792 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 546' ' ' ASP . 83.9 p -92.83 6.55 47.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.86 137.96 33.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 554' ' ' THR . 8.1 m-20 -82.4 145.56 29.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -40.07 -54.88 2.19 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 17.1 m -65.44 -25.61 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 551' ' ' ASP . 69.4 m -84.11 -24.83 30.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 53.9 t -65.09 -41.49 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -64.1 -33.14 75.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.13 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -79.99 -25.15 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.217 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -54.41 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -63.33 -24.89 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.927 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 562' ' ' LEU . 40.9 t -66.23 -49.45 67.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.736 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -50.18 -9.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.12 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 560' ' ' SER . 42.7 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.178 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.155 0.503 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 12.4 mt -142.74 87.84 8.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.193 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.04 114.4 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 121.491 1.461 . . . . 0.0 111.915 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.0 t -105.88 121.4 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.3 m -96.76 130.24 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.502 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 95.4 mt -125.79 110.78 25.06 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.64 121.6 4.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 121.584 1.522 . . . . 0.0 111.735 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 19.4 mt -55.23 -13.79 1.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -74.62 -25.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.973 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 67.3 m -86.45 -20.68 27.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 13.9 m -128.97 -173.93 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.264 0.554 . . . . 0.0 110.87 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.26 113.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.756 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 4.2 mm? . . . . . 0 CA--C 1.54 0.575 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 53.5 mttp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -80.69 -38.06 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -45.7 -61.7 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.178 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.442 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.1 mp -43.96 -50.48 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.637 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -48.74 -49.45 38.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.654 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.47 -22.85 3.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.2 -41.65 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.05 -62.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.34 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -48.06 -54.13 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.087 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 510' ' ' LEU . 3.7 mm? -58.16 -52.87 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.89 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -46.89 -58.82 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.31 -52.15 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 7.6 tpt85 -48.63 -55.66 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.93 -41.31 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 20.0 ttt -51.89 -40.5 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.812 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.8 p -94.89 -19.83 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.617 0.246 . . . . 0.0 110.653 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.07 117.3 4.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.969 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -102.96 -11.78 17.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.238 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.22 101.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -65.68 -29.86 70.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -45.19 -34.55 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.0 mm -86.75 -50.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 52.4 mt -48.47 -25.55 1.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -73.19 -45.93 53.53 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.67 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -64.7 -53.58 45.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 529' ' ' LEU . 97.6 mt -54.64 -60.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 50.1 t -41.45 -62.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -58.08 -21.56 46.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.635 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -69.23 -60.47 2.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.928 -179.457 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 533' ' ' THR . 38.2 pt -68.48 -39.42 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.333 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 530' ' ' ILE . 38.7 tt0 -44.6 -46.16 9.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.411 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.88 -27.95 67.13 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 530' ' ' ILE . 5.3 m -69.83 -49.19 55.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 112.7 -11.76 25.38 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.68 71.05 9.77 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.154 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 24.8 p90 -156.3 164.94 37.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.29 0.567 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.488 ' N ' ' CD2' ' A' ' 537' ' ' HIS . 3.4 p80 -144.11 99.29 3.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.862 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 5.5 mt -82.82 121.42 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.477 ' CG2' ' OG1' ' A' ' 542' ' ' THR . 10.0 t -82.95 -161.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . 0.507 HD21 ' C ' ' A' ' 540' ' ' ASN . 0.3 OUTLIER -42.91 -69.2 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 8.8 m -141.19 75.94 1.52 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 110.169 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' THR . . . . . 0.477 ' OG1' ' CG2' ' A' ' 539' ' ' THR . 0.0 OUTLIER -174.06 160.12 3.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.137 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -121.74 104.05 9.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.7 OUTLIER -108.19 140.93 40.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.959 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' A' ' 545' ' ' PHE . 13.5 p90 -153.68 153.08 31.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.826 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 549' ' ' SER . 10.2 p-10 -102.31 146.6 27.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.1 mm? -79.42 -11.53 59.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.368 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 6.2 t -86.13 -7.58 58.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.725 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' SER . . . . . 0.449 ' N ' ' OD2' ' A' ' 546' ' ' ASP . 4.7 p -91.07 6.01 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 28.3 mt -83.32 131.17 35.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.441 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 555' ' ' VAL . 18.5 t70 -76.48 155.08 34.13 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -47.92 -54.99 10.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.816 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 71.0 m -66.16 -22.4 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 51.4 m -84.79 -27.73 26.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.687 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 36.1 t -64.79 -39.45 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . 0.689 HH12 HE22 ' A' ' 559' ' ' GLN . 26.6 mmt-85 -67.08 -31.85 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.87 -24.22 38.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.182 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -51.59 13.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.295 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.689 HE22 HH12 ' A' ' 556' ' ' ARG . 17.7 mt-30 -66.04 -25.27 66.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.274 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 63.7 p -64.53 -49.3 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.497 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -48.58 -28.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.081 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.86 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 73.1 tttt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.759 0.314 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 7.1 mt -136.87 87.97 19.0 Favored Pre-proline 0 C--N 1.33 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.46 131.59 11.68 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 121.111 1.207 . . . . 0.0 111.511 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.47 107.28 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 82.8 p -89.82 127.93 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.22 114.21 27.71 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -43.06 129.07 5.67 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.822 1.681 . . . . 0.0 112.285 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.02 -13.39 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.636 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.21 47.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 43.7 t -89.43 -13.7 37.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.47 -169.99 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 121.029 0.443 . . . . 0.0 110.18 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.74 146.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.921 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.234 -179.422 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -53.74 -60.19 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.41 -61.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.207 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.449 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.0 mp -44.21 -48.86 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -50.3 -42.28 52.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -61.7 -26.98 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.512 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.1 mt -84.73 -45.01 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.2 -62.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -49.39 -53.21 23.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.832 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 18.5 tp -56.54 -49.78 73.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -52.83 -55.16 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -49.97 -51.28 42.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.11 -40.17 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.042 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.9 -43.94 97.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 0.0 110.599 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 11.9 tpt -53.66 -38.9 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.464 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.1 p -90.4 -22.42 21.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 44.7 tp -54.29 141.61 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -136.44 3.91 2.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.164 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -57.76 109.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.361 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . 0.532 ' NH1' ' NE2' ' A' ' 524' ' ' GLN . 61.8 ttt-85 -72.47 -23.37 61.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . 0.711 ' H ' ' ND1' ' A' ' 521' ' ' HIS . 0.2 OUTLIER -77.48 -27.5 51.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 522' ' ' ILE . 1.3 mp -88.2 -51.99 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.423 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 6.5 mp -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.923 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . 0.532 ' NE2' ' NH1' ' A' ' 520' ' ' ARG . 84.8 mt-30 -79.49 -42.16 25.86 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.51 -52.94 48.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 529' ' ' LEU . 75.3 mt -54.17 -58.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.63 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 49.9 t -41.78 -58.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.698 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.55 -20.94 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.436 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -71.05 -62.67 1.31 Allowed 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.925 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 533' ' ' THR . 44.0 pt -66.69 -47.45 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.589 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 530' ' ' ILE . 28.0 tt0 -41.17 -42.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.04 -34.32 77.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 530' ' ' ILE . 30.6 p -69.49 -50.76 42.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 123.43 -16.48 8.0 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 549' ' ' SER . 13.3 m-70 -75.79 48.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.556 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -139.01 154.15 48.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.249 0.547 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -138.18 128.17 25.59 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.362 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 7.0 mt -110.09 121.43 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 62.6 p -85.56 -160.97 0.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -42.01 -68.72 0.17 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' THR . . . . . 0.41 ' C ' ' OG1' ' A' ' 542' ' ' THR . 34.5 p -144.1 75.87 1.48 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.075 0.464 . . . . 0.0 110.459 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' THR . . . . . 0.41 ' OG1' ' C ' ' A' ' 541' ' ' THR . 0.2 OUTLIER -173.79 165.19 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -118.64 103.26 9.53 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.22 138.87 42.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.048 0.452 . . . . 0.0 111.116 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -154.12 137.04 15.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -91.55 143.82 26.19 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 3.2 mm? -77.12 -20.58 55.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.547 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.94 -9.11 59.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' SER . . . . . 0.472 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 27.1 p -95.55 13.82 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.46 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 76.7 mt -87.77 161.24 17.69 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.754 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 554' ' ' THR . 1.1 m-20 -104.26 140.4 37.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.659 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -40.17 -55.14 2.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.552 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.0 m -66.08 -24.95 66.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.822 0.344 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 551' ' ' ASP . 88.6 m -82.72 -29.14 30.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 551' ' ' ASP . 67.2 t -65.66 -38.51 82.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -73.03 -23.27 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -83.23 -25.26 31.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 40.8 mt -80.98 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.426 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 19.7 mt-30 -43.86 -28.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 562' ' ' LEU . 67.2 m -68.22 -51.82 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -45.95 -15.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.621 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 560' ' ' SER . 9.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.697 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . 0.431 ' CB ' ' NZ ' ' B' ' 878' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.864 0.364 . . . . 0.0 110.081 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 11.3 mt -139.27 88.61 12.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -80.22 131.06 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 121.278 1.319 . . . . 0.0 111.307 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 91.9 t -125.65 106.69 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 17.9 p -99.45 124.78 44.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.223 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.4 143.49 39.65 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.56 133.24 27.33 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.922 1.748 . . . . 0.0 112.163 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.3 -12.47 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.455 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -73.21 -24.19 60.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 38.0 t -86.03 -12.03 51.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.421 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.43 -175.58 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.137 0.494 . . . . 0.0 110.266 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 5.0 t -139.93 117.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.837 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 2.7 mm? . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.878 0.371 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -45.58 -61.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.668 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.443 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.1 mp -44.12 -50.9 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.558 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -47.74 -43.24 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.577 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.9 mt -81.69 -46.16 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.112 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 61.1 t -54.98 -58.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -44.6 -55.81 4.88 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.23 -54.84 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -44.68 -64.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -49.85 -50.24 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.544 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.74 -39.81 90.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.16 -45.08 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.429 . . . . 0.0 110.579 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 515' ' ' MET . 13.5 tmm? -52.94 -38.82 62.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.367 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.5 p -89.89 -22.75 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 42.7 tp -55.33 140.47 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -136.1 3.12 2.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.31 104.82 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -60.17 -37.6 80.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -43.05 -34.0 0.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.874 0.369 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 15.4 mm -87.77 -54.27 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 47.1 mt -48.84 -23.97 1.28 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -42.87 25.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.562 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -66.65 -51.48 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 529' ' ' LEU . 96.5 mt -58.59 -58.19 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 43.1 t -42.3 -59.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.405 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 528' ' ' ASN . 1.4 m120 -59.22 -23.67 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.2 OUTLIER -72.88 -64.01 1.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 531' ' ' GLU . 42.5 pt -65.79 -49.62 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.374 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . 0.471 ' N ' HG13 ' A' ' 530' ' ' ILE . 25.5 tt0 -45.06 -41.56 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.257 0.551 . . . . 0.0 109.517 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.79 -41.43 95.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.062 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 530' ' ' ILE . 82.1 p -68.84 -50.94 45.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.63 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . 0.564 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 114.57 105.86 2.63 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 1.5 m170 165.29 50.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -138.8 151.46 47.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.18 0.514 . . . . 0.0 110.778 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -128.32 94.1 3.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.526 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 65.9 mt -90.88 135.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 541' ' ' THR . 96.5 m -147.96 153.83 39.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 31.9 t30 45.58 -93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.304 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.52 77.42 1.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.446 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.17 162.29 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.768 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -122.12 100.5 7.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 109.993 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.6 OUTLIER -101.77 138.93 38.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -153.9 136.44 15.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . 0.428 ' O ' ' OG ' ' A' ' 549' ' ' SER . 17.1 m-20 -90.65 133.72 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 110.242 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -69.53 -19.57 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.048 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 19.0 m -81.65 -9.38 59.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 546' ' ' ASP . 85.0 p -90.99 10.7 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.785 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 61.6 mt -86.44 -175.31 5.42 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.6 m-20 -131.12 134.68 46.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.658 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.41 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.9 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -178.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -68.68 -29.46 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 551' ' ' ASP . 50.1 m -86.27 -23.34 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.5 t -70.55 -29.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.394 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . 0.662 ' NH1' HE22 ' A' ' 559' ' ' GLN . 33.1 mmt-85 -74.66 -29.73 61.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -82.06 -23.7 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.7 -64.85 1.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.641 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . 0.662 HE22 ' NH1' ' A' ' 556' ' ' ARG . 14.6 mt-30 -43.85 -26.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 562' ' ' LEU . 25.6 p -63.51 -48.25 78.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.751 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -48.97 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.477 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 560' ' ' SER . 27.2 mt . . . . . 0 N--CA 1.464 0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.088 0.47 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 12.9 mt -137.99 86.99 16.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -80.8 128.56 6.74 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.472 1.448 . . . . 0.0 111.081 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.35 107.05 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 19.9 m -97.92 126.54 43.37 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . 0.404 HG21 HD13 ' B' ' 883' ' ' ILE . 0.0 OUTLIER -123.5 143.5 41.67 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.24 131.42 26.64 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.765 1.643 . . . . 0.0 111.582 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' B' ' 888' ' ' VAL . 48.2 mt -60.59 -13.62 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.626 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.06 61.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.79 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 73.5 m -86.72 -12.73 47.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' B' ' 885' ' ' LEU . 7.4 m -139.82 -172.58 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.063 0.459 . . . . 0.0 110.158 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 16.5 t -140.72 130.28 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.131 179.713 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.5 mttt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.26 79.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -44.82 -61.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.417 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.467 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.1 mp -44.6 -47.87 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.648 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.04 -41.63 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.716 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -61.49 -25.21 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.0 mt -85.13 -43.0 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.56 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.28 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.963 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -49.08 -54.6 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.063 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 4.6 mp -51.64 -47.27 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' HIS . . . . . 0.746 ' HD1' HH21 ' A' ' 512' ' ' ARG . 57.4 t-80 -59.36 -48.36 81.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.235 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.746 HH21 ' HD1' ' A' ' 511' ' ' HIS . 0.0 OUTLIER -53.32 -56.59 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.513 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -65.8 -35.5 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.519 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.94 -44.99 94.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.454 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 515' ' ' MET . 1.6 tmt? -53.9 -38.21 64.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.611 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 65.7 p -92.2 -23.5 19.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.657 0.265 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 41.8 tp -53.51 125.12 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.332 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -24.26 12.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.819 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 521' ' ' HIS . 0.9 OUTLIER -39.66 100.69 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.593 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -72.76 -31.76 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.31 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' HIS . . . . . 0.545 ' N ' ' OE1' ' A' ' 519' ' ' GLU . 11.2 t-80 -57.14 -37.68 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 11.7 mm -80.17 -51.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . 0.415 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 6.2 mp -45.77 -27.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.661 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.71 -44.46 33.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.7 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -63.51 -50.82 68.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 529' ' ' LEU . 96.7 mt -56.63 -59.65 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.738 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 55.8 t -41.9 -61.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.713 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -52.69 -23.85 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.3 OUTLIER -72.52 -63.04 1.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 531' ' ' GLU . 30.2 pt -67.38 -37.15 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.276 0.56 . . . . 0.0 110.25 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 530' ' ' ILE . 14.8 tm-20 -54.21 -48.78 70.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.19 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.325 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 8.7 m -69.41 -51.37 37.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.325 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.41 -24.39 5.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -73.31 55.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -147.43 158.29 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.09 0.472 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -135.55 146.56 48.15 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.578 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 79.6 mt -138.71 133.58 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.465 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' THR . . . . . 0.653 ' HG1' ' N ' ' A' ' 540' ' ' ASN . 0.7 OUTLIER -143.08 163.39 32.97 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.425 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . 0.653 ' N ' ' HG1' ' A' ' 539' ' ' THR . 1.3 p30 38.92 -95.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.635 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 539' ' ' THR . 43.9 p -151.54 77.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.85 165.9 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.602 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -124.49 100.21 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.809 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -105.63 143.44 33.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 111.27 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.05 147.8 24.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.013 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.07 146.32 26.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -79.42 -13.6 59.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.063 0.459 . . . . 0.0 109.986 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 13.1 t -88.59 -13.84 39.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.648 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 5.0 t -89.86 11.88 18.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.373 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.02 141.35 34.47 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 554' ' ' THR . 28.6 m-20 -84.21 143.95 29.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -40.3 -54.16 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.4 m -65.83 -26.6 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 551' ' ' ASP . 84.7 m -83.13 -22.01 33.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.562 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 551' ' ' ASP . 52.4 t -68.04 -44.3 84.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -65.94 -29.87 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.1 -30.52 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.971 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.169 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.66 -27.79 7.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.9 t -68.95 -55.63 10.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -45.93 -57.64 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.585 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp . . . . . 0 N--CA 1.457 -0.107 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.39 88.16 10.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.79 140.35 14.55 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 121.549 1.499 . . . . 0.0 113.175 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 47.1 t -134.38 106.34 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.958 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 18.0 p -92.14 130.07 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.78 113.83 28.52 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.8 130.83 7.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.621 1.547 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.17 -13.69 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.78 -23.29 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.738 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 29.1 t -87.26 -14.54 40.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.415 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.21 -170.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.03 0.443 . . . . 0.0 110.071 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 6.1 t -140.47 130.49 28.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.177 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.537 0.478 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.477 -179.708 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . 0.407 ' H1 ' ' H ' ' A' ' 501' ' ' LYS . 52.5 t0 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.407 ' H ' ' H1 ' ' A' ' 500' ' ' ASP . 35.0 mmtm -78.59 -4.27 47.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.465 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.16 32.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.681 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -45.56 -61.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.481 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 9.7 mp -43.87 -51.95 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 0.0 110.444 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . 0.425 ' O ' ' OE1' ' A' ' 509' ' ' GLU . 20.4 t70 -46.87 -50.53 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.98 -24.53 6.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.5 mt -85.94 -43.61 13.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.29 -60.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 509' ' ' GLU . 1.8 mp0 -49.93 -53.39 26.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.022 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.48 -51.49 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -51.76 -57.02 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.815 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 25.9 tpt85 -53.2 -53.07 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.57 -45.87 84.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 34.4 tpp -55.66 -38.71 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.547 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 72.9 p -93.05 -24.24 18.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.03 137.18 33.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 520' ' ' ARG . 7.9 tpm_? -125.98 -18.88 4.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.232 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 519' ' ' GLU . 0.0 OUTLIER -46.66 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.041 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 518' ' ' ARG . 79.4 mtm180 -60.76 -23.79 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -61.64 -33.05 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.63 -50.74 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.394 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.478 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 52.1 mt -47.43 -28.72 2.25 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.566 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -76.19 -41.5 49.38 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -65.94 -54.43 26.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.621 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 94.2 mt -54.76 -59.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.368 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 54.0 t -42.57 -63.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.609 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -51.48 -24.51 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.315 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.24 -63.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.445 ' O ' ' OG1' ' A' ' 533' ' ' THR . 11.2 pt -70.08 -14.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 111.295 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.77 -49.4 21.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.219 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.55 -28.79 68.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 530' ' ' ILE . 37.2 p -69.78 -49.23 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.434 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 114.8 -10.37 21.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -75.78 55.73 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.221 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -147.88 159.07 44.25 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -140.12 100.1 3.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.092 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 39.3 mt -83.32 134.7 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 29.6 p -98.95 -160.02 0.78 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.867 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . 0.515 HD21 ' C ' ' A' ' 540' ' ' ASN . 0.4 OUTLIER -40.83 -67.94 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.643 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.84 76.41 1.43 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.486 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.51 165.37 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -124.16 100.35 6.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.079 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -105.79 142.04 36.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.907 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -154.33 149.67 27.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.943 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -103.46 139.47 38.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.956 0.408 . . . . 0.0 110.247 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -72.03 -22.74 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.323 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 32.3 m -77.55 -10.54 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.628 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 6.7 p -90.73 5.38 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 65.0 mt -79.07 149.21 32.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.5 m-20 -92.62 142.29 27.54 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.837 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -40.64 -54.8 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -66.36 -22.97 66.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.583 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.508 ' N ' ' O ' ' A' ' 551' ' ' ASP . 66.8 m -86.71 -22.96 25.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 551' ' ' ASP . 54.6 t -71.53 -39.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.295 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . 0.52 ' NH2' ' OE1' ' A' ' 559' ' ' GLN . 6.2 mmp_? -63.99 -28.26 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -85.37 -27.19 26.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.033 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -50.17 37.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.194 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.52 ' OE1' ' NH2' ' A' ' 556' ' ' ARG . 57.1 mt-30 -67.25 -28.1 67.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.0 t -65.18 -48.75 72.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -47.38 -57.08 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.975 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.1 -34.89 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.551 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 564' ' ' THR . 51.0 mm-40 -77.82 44.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.703 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 563' ' ' GLU . 49.4 p -49.47 -179.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 93.1 p -165.7 -155.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -162.86 104.14 0.23 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 59.2 p -77.94 113.64 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.583 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.505 ' C ' ' H ' ' B' ' 878' ' ' LYS . 77.2 p . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.4 38.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.693 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' B' ' 876' ' ' THR . 27.0 mtmm -149.48 142.06 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.134 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 5.9 mt -133.59 88.05 35.08 Favored Pre-proline 0 C--N 1.33 -0.24 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.02 131.33 10.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 121.183 1.256 . . . . 0.0 111.467 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 70.1 t -126.08 114.01 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.7 p -93.69 129.17 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . 0.421 HD11 HG22 ' B' ' 883' ' ' ILE . 88.1 mt -123.74 113.39 28.7 Favored Pre-proline 0 N--CA 1.47 0.539 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.71 123.12 3.67 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.548 1.499 . . . . 0.0 111.708 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.43 -14.05 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.69 -23.39 49.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 19.8 m -84.52 -18.18 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.403 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.34 -170.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.164 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.0 t -140.65 118.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.078 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 3.9 mm? -91.88 120.28 68.01 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.241 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.12 91.24 1.21 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.995 1.796 . . . . 0.0 112.043 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 22.8 t -160.8 48.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.658 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -79.43 -86.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -85.41 67.47 10.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 895' ' ' GLU . 1.2 pp20? -58.19 148.35 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -73.35 -61.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -165.88 143.95 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -74.62 -68.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 60.9 m 55.18 70.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.527 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -76.83 -9.08 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.1 66.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -45.29 -61.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.45 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.2 mp -44.5 -50.05 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.94 -43.89 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.39 -24.42 63.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.1 -44.96 13.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.98 -56.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.81 -53.01 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.974 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.94 -53.31 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -49.71 -56.77 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.311 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -51.84 -55.32 20.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.557 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.06 -38.23 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.3 -46.46 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 8.5 ttt -51.39 -39.44 57.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.401 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.6 p -90.16 -22.85 21.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 52.2 tp -53.62 136.34 39.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.454 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -136.29 3.93 2.88 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -72.45 84.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -42.17 -29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . 0.406 ' HD1' ' C ' ' A' ' 521' ' ' HIS . 2.0 t-80 -53.7 -44.27 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.442 ' N ' ' CD1' ' A' ' 522' ' ' ILE . 1.5 mp -80.47 -50.51 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.464 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 14.7 mt -45.99 -28.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.3 -43.05 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.719 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.92 -53.02 56.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 529' ' ' LEU . 71.4 mt -56.55 -59.93 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 54.2 t -41.65 -58.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.739 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.94 -22.18 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -68.82 -61.33 1.85 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.334 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 533' ' ' THR . 2.5 pp -67.95 -48.45 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.44 ' N ' ' CD1' ' A' ' 530' ' ' ILE . 13.2 tm-20 -40.39 -43.33 1.76 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.109 0.481 . . . . 0.0 109.806 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -62.11 -42.38 99.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.959 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 530' ' ' ILE . 57.2 p -69.94 -53.26 18.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . 0.525 ' C ' ' HD1' ' A' ' 535' ' ' HIS . . . 127.66 -154.68 19.76 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.525 ' HD1' ' C ' ' A' ' 534' ' ' GLY . 6.5 m80 61.68 58.59 1.98 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.441 -0.379 . . . . 0.0 111.465 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 31.0 p90 -148.34 157.68 43.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 109.905 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.6 93.58 2.98 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.081 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 97.2 mt -93.28 130.13 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.593 ' HG1' ' H ' ' A' ' 540' ' ' ASN . 12.1 t -148.48 170.2 18.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . 0.593 ' H ' ' HG1' ' A' ' 539' ' ' THR . 8.4 m120 41.93 -99.84 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.111 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 52.3 p -152.04 75.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.112 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.51 163.93 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.759 179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . 0.436 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 16.8 t80 -125.13 103.65 8.1 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.413 ' OD2' ' OG ' ' B' ' 882' ' ' SER . 0.9 OUTLIER -105.04 142.11 35.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.833 179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . 0.436 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 16.8 p90 -154.58 151.23 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.855 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 546' ' ' ASP . 6.2 p-10 -101.16 143.91 30.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.3 mm? -77.86 -11.36 59.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.323 . . . . 0.0 110.573 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 7.2 t -87.42 -9.41 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.98 2.83 50.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.041 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 17.3 mt -84.57 156.76 21.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.327 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 552' ' ' LYS . 28.0 t0 -103.73 154.82 19.13 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 551' ' ' ASP . 46.9 mtpt -55.41 -33.79 63.82 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.535 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.4 m -78.89 -27.67 43.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.975 0.417 . . . . 0.0 110.29 179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.1 m -87.33 -24.51 24.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.682 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.93 -31.07 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' A' ' 559' ' ' GLN . 17.9 mmt-85 -71.5 -30.41 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -84.06 -26.25 29.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.353 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.9 mt -79.74 -48.44 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.963 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 556' ' ' ARG . 87.4 mt-30 -61.57 -29.39 69.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 562' ' ' LEU . 37.4 t -65.32 -50.63 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.351 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -46.21 -18.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.801 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 560' ' ' SER . 8.6 mt -82.45 -58.04 3.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -13.95 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 565' ' ' SER . 3.7 m 44.32 45.23 7.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 564' ' ' THR . 20.5 p 52.04 173.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.482 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 177.25 73.44 0.06 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 43.6 p 46.21 32.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.571 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.42 ' C ' ' H ' ' B' ' 878' ' ' LYS . 83.9 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -78.72 38.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' B' ' 876' ' ' THR . 21.8 mtmm -139.42 178.87 6.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.835 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 9.6 mt -138.54 87.81 14.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.95 131.02 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 121.191 1.26 . . . . 0.0 111.436 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.4 t -130.37 110.82 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 882' ' ' SER . . . . . 0.413 ' OG ' ' OD2' ' A' ' 544' ' ' ASP . 4.8 m -94.92 130.68 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.118 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 13.8 mt -122.19 113.22 31.19 Favored Pre-proline 0 N--CA 1.469 0.521 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.53 132.61 7.27 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.62 1.546 . . . . 0.0 112.134 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.77 -13.32 42.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.1 -27.44 54.11 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 53.1 m -84.59 -12.69 53.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.485 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.94 -171.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.392 . . . . 0.0 110.074 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.52 124.42 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 65.1 mt -79.97 148.67 68.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.902 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.7 96.04 0.98 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.193 1.929 . . . . 0.0 111.749 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 75.2 m -47.69 -88.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.71 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . 0.532 ' CD ' ' N ' ' B' ' 893' ' ' ARG . 0.7 OUTLIER 48.48 70.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.355 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -162.93 57.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.71 161.2 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -171.83 -130.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -160.32 96.56 1.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.836 0.35 . . . . 0.0 110.53 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -73.69 95.8 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 85.6 p 45.93 77.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.555 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -79.06 -17.64 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.636 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.427 ' O ' ' OE2' ' A' ' 506' ' ' GLU . . . -55.43 -57.63 11.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.604 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -44.86 -61.49 1.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 6.7 tp -44.92 -43.1 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.51 -48.29 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 506' ' ' GLU . 0.3 OUTLIER -54.73 -25.59 28.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.095 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.17 -44.92 14.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.77 -62.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.33 -57.63 3.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.27 -53.39 58.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -47.88 -62.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -49.02 -50.49 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -63.67 -36.59 84.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.63 -45.09 95.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.6 tpt -54.17 -38.71 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.5 p -90.68 -24.7 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 35.4 tp -51.24 117.1 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.587 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.1 tpt180 -110.04 -16.11 13.89 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -54.7 82.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mtm105 -50.09 -25.09 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.721 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.34 -30.43 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 18.3 mm -88.18 -50.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 111.356 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.49 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 10.2 mp -46.83 -27.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.483 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -73.74 -46.46 45.77 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.124 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -63.73 -51.73 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 529' ' ' LEU . 90.7 mt -57.19 -60.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 56.1 t -41.78 -61.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -56.79 -23.82 46.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.297 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -70.2 -62.23 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.49 -179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.539 ' O ' ' N ' ' A' ' 533' ' ' THR . 1.9 pp -67.35 -43.82 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 0.0 110.523 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 536' ' ' PHE . 48.8 tp10 -43.06 -47.32 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.72 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -60.03 -28.78 68.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.238 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 530' ' ' ILE . 4.0 m -69.76 -50.54 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 117.55 -13.44 13.43 Favored Glycine 0 N--CA 1.468 0.789 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -73.92 59.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.295 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 531' ' ' GLU . 26.6 p90 -145.91 156.24 43.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.751 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' A' ' 537' ' ' HIS . 5.6 p80 -138.59 94.04 2.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.99 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.1 138.0 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.42 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 541' ' ' THR . 44.1 p -145.61 158.34 43.86 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 44.16 -97.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 539' ' ' THR . 18.5 p -151.45 76.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.0 165.67 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . 0.55 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 67.4 t80 -124.18 104.07 8.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.19 143.88 41.24 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . 0.55 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 10.1 p90 -154.58 152.15 29.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.994 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -102.82 145.12 30.25 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.91 -12.9 59.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 9.3 t -84.35 -16.52 42.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.598 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 7.9 t -88.07 11.02 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 57.9 mt -86.15 148.18 25.8 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.643 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.5 m-20 -93.08 136.77 33.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.963 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -40.46 -51.57 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.5 m -66.62 -25.4 66.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 551' ' ' ASP . 94.2 m -87.16 -20.02 27.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 551' ' ' ASP . 72.5 t -76.23 -29.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -73.02 -27.21 61.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -85.2 -23.92 28.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.112 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 45.7 mt -81.49 -66.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 563' ' ' GLU . 37.1 mt-30 -43.89 -29.67 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.8 m -63.25 -43.86 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.559 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -53.15 -24.25 10.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.023 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.85 -19.5 12.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.219 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 559' ' ' GLN . 45.1 tt0 46.27 46.16 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.482 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' THR . . . . . 0.518 ' HG1' ' N ' ' A' ' 565' ' ' SER . 1.6 t -57.6 149.54 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.463 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' SER . . . . . 0.518 ' N ' ' HG1' ' A' ' 564' ' ' THR . 91.5 p 47.84 -135.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.484 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 79.53 37.83 22.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 43.8 p -59.95 123.17 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.575 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.43 ' C ' ' H ' ' B' ' 878' ' ' LYS . 2.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 38.34 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' B' ' 876' ' ' THR . 9.3 mtmp? -84.04 -161.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.098 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 18.8 mt -144.89 87.74 7.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.463 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.87 139.53 13.9 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 121.651 1.567 . . . . 0.0 112.133 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' B' ' 882' ' ' SER . 95.3 t -125.37 163.98 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.154 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 882' ' ' SER . . . . . 0.456 ' N ' ' CG1' ' B' ' 881' ' ' VAL . 4.2 m -149.43 129.13 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.366 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 47.6 mt -134.55 135.23 23.27 Favored Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.54 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.98 133.54 25.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.387 1.391 . . . . 0.0 111.071 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 30.2 mt -60.7 -13.31 14.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.492 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.08 -24.95 51.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.229 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 22.9 p -87.05 -12.52 47.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.4 m -140.06 -169.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.107 0.48 . . . . 0.0 109.846 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.9 108.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.585 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 891' ' ' PRO . 4.4 mm? -91.09 113.74 59.23 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.079 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 890' ' ' LEU . 77.8 Cg_exo -41.81 167.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.723 1.615 . . . . 0.0 111.881 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 6.4 t -160.1 -64.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 894' ' ' ALA . 17.0 mmm180 -79.76 8.21 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' B' ' 893' ' ' ARG . . . 54.48 107.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . 0.457 ' H ' ' CD ' ' B' ' 895' ' ' GLU . 3.9 mp0 -60.18 -11.47 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -74.32 128.53 35.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' B' ' 899' ' ' SER . . . 53.99 44.92 28.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' B' ' 899' ' ' SER . 40.4 ptt85 -76.67 15.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 899' ' ' SER . . . . . 0.446 ' H ' ' C ' ' B' ' 897' ' ' ALA . 12.8 m 58.39 117.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 900' ' ' THR . . . . . 0.412 ' O ' ' O ' ' B' ' 899' ' ' SER . 40.6 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 8.3 mtmp? -80.09 -7.84 59.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -75.76 -40.38 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -45.07 -61.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.466 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.0 mp -44.08 -51.29 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.48 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 505' ' ' ASP . 0.8 OUTLIER -48.31 -44.02 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.692 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.02 -26.19 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.9 mt -83.73 -44.96 13.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.72 -55.85 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -55.37 -52.01 64.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.141 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.88 -53.65 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -51.25 -56.71 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -51.45 -55.21 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.561 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -58.95 -40.67 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.005 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.32 -45.67 92.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.737 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 7.9 ttt -51.55 -39.27 57.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.681 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 59.5 p -91.99 -23.1 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 43.5 tp -52.72 129.03 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.756 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -136.56 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.008 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -141.01 88.83 2.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -45.24 -23.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.222 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -63.2 -40.0 96.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.995 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 524' ' ' GLN . 17.7 mm -87.1 -53.93 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.437 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 10.1 mp -44.9 -20.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.223 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 522' ' ' ILE . 26.2 tp60 -81.81 -41.58 20.89 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.942 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.82 -51.43 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' A' ' 526' ' ' ILE . 1.8 mp -57.33 -59.42 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 76.4 t -42.78 -59.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.39 -25.11 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.04 -59.99 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.763 0.316 . . . . 0.0 110.814 -179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.432 HG13 ' H ' ' A' ' 531' ' ' GLU . 2.0 pp -70.17 -45.14 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.605 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.521 ' OE1' ' CE2' ' A' ' 536' ' ' PHE . 50.0 mm-40 -44.38 -45.99 9.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.824 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.66 -37.07 86.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.8 m -69.13 -52.19 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.546 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 109.09 107.91 3.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 2.9 m-70 163.64 63.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . 0.521 ' CE2' ' OE1' ' A' ' 531' ' ' GLU . 30.7 p90 -153.64 160.97 42.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.206 0.527 . . . . 0.0 110.859 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -130.42 93.86 3.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.069 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 81.5 mt -93.38 131.75 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 541' ' ' THR . 6.1 p -146.63 165.75 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 42.25 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.99 0.424 . . . . 0.0 110.286 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 539' ' ' THR . 46.6 p -151.76 76.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.301 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.75 166.35 4.47 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.002 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -125.73 100.82 6.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.809 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 545' ' ' PHE . 36.8 t0 -104.01 142.24 34.78 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . 0.488 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 16.0 p90 -155.14 152.35 29.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.048 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -101.6 142.7 32.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.6 mm? -77.81 -11.65 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.6 t -88.6 -12.15 43.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 17.2 t -87.48 7.41 29.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.438 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.45 168.01 17.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.541 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.9 m-20 -118.4 137.54 53.06 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -39.72 -46.08 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 -179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.3 m -69.23 -30.67 68.87 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.63 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 551' ' ' ASP . 7.5 m -85.07 -22.52 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.471 ' CG1' ' OE1' ' A' ' 559' ' ' GLN . 53.5 t -69.07 -30.11 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.019 0.437 . . . . 0.0 109.931 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . 0.436 ' CA ' ' HE ' ' A' ' 556' ' ' ARG . 0.0 OUTLIER -72.36 -37.39 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -77.32 -23.01 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 110.231 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.18 -60.76 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.471 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 20.8 mt-30 -50.23 -27.77 6.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.366 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 29.9 t -66.06 -52.39 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -49.88 -38.47 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.335 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.0 -18.63 64.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -158.04 78.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 58.4 p -67.32 159.8 28.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 80.1 p -68.93 -170.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.607 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 568' ' ' SER . . . 79.08 33.67 35.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 7.0 m 60.71 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.566 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 566' ' ' GLY . 42.6 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.491 ' C ' ' H ' ' B' ' 878' ' ' LYS . 21.9 p . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -74.59 38.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.675 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' B' ' 876' ' ' THR . 35.2 mmtt -137.8 140.7 40.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.852 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 7.1 mt -133.58 88.01 35.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.71 132.91 11.14 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 121.231 1.287 . . . . 0.0 111.443 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.91 109.67 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.7 m -91.97 133.25 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 10.5 mt -125.4 113.08 25.72 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.34 133.66 6.68 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.636 1.557 . . . . 0.0 112.082 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.96 -13.8 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.776 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -75.2 -26.32 58.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.802 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 5.9 p -86.63 -10.4 53.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.72 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.61 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 121.127 0.489 . . . . 0.0 110.135 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . 0.431 ' H ' HE22 ' A' ' 524' ' ' GLN . 4.9 t -140.58 119.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.212 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 66.6 mt -75.11 149.46 84.96 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.073 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.46 126.01 9.4 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.171 1.914 . . . . 0.0 111.737 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 21.2 p -65.54 143.13 57.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -72.72 66.69 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.486 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -59.73 116.96 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -76.97 130.8 37.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -174.28 -170.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 57.07 14.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -47.86 106.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 44.2 t -74.48 134.84 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 900' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 900' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.555 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 11.9 t0 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -65.33 -4.83 5.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -68.6 -48.2 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -45.48 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.446 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.2 mp -43.96 -49.76 8.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.867 0.365 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.43 -48.15 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.03 -24.61 17.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.41 -44.57 12.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.418 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.55 -58.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.97 -52.25 35.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.47 -52.1 65.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -48.52 -56.75 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.424 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.14 -53.34 51.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.683 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -57.12 -48.08 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.9 -41.02 86.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.679 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.4 tpt -55.68 -37.79 68.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.262 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.9 t -103.83 16.94 25.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 45.2 tp -92.99 117.0 29.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.855 0.359 . . . . 0.0 110.767 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.01 7.67 19.91 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.53 96.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.505 ' NH1' ' O ' ' B' ' 887' ' ' SER . 40.7 mtp85 -58.15 -23.51 55.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.247 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.22 -40.19 96.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.335 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.12 -49.71 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 120.55 0.214 . . . . 0.0 110.6 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.447 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 8.5 mp -45.55 -31.71 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.327 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.2 -40.67 59.06 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.732 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -66.57 -54.7 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 529' ' ' LEU . 86.8 mt -54.66 -59.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 64.5 t -41.65 -63.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.635 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 528' ' ' ASN . 0.8 OUTLIER -53.52 -20.46 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.531 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.3 OUTLIER -73.76 -65.26 0.85 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . . . . . . . . . 1.4 pp -66.14 -16.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.886 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -73.71 -48.88 28.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.84 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.53 -12.97 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.338 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 12.7 m -83.37 -47.82 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 108.54 -1.12 32.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.585 ' CE1' ' HG ' ' A' ' 549' ' ' SER . 3.9 t-80 -88.56 62.54 6.59 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 122.768 -0.254 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 28.3 p90 -144.24 157.62 44.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.21 0.528 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -131.65 94.16 3.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.825 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.82 135.3 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.456 ' HG1' ' N ' ' A' ' 540' ' ' ASN . 11.8 t -151.59 160.87 43.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.782 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . 0.456 ' N ' ' HG1' ' A' ' 539' ' ' THR . 27.0 t30 44.26 -97.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.294 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.7 77.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.227 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.09 159.62 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . 0.505 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 57.3 t80 -121.29 100.54 7.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.45 142.65 34.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.197 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 36.5 p90 -157.55 162.03 38.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.674 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -111.26 149.45 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.57 -30.47 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.977 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.31 -6.04 43.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.729 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' SER . . . . . 0.585 ' HG ' ' CE1' ' A' ' 535' ' ' HIS . 36.4 m -90.91 4.86 50.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.93 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 29.3 mt -86.3 144.79 27.21 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 554' ' ' THR . 7.8 m-20 -88.68 144.56 26.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.401 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 12.6 mptt -41.56 -54.7 3.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.757 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.7 m -66.24 -22.65 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.441 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 551' ' ' ASP . 61.1 m -85.98 -25.98 25.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.528 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.4 t -64.7 -35.71 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -62.75 -43.92 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.556 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 557' ' ' LYS . 0.5 OUTLIER -72.86 -28.91 62.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.096 0.474 . . . . 0.0 110.191 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -54.35 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.372 -179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.44 ' NE2' ' CG1' ' A' ' 555' ' ' VAL . 70.7 mt-30 -65.79 -27.04 67.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 562' ' ' LEU . 15.1 t -67.24 -48.0 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.937 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 557' ' ' LYS . 29.7 m-85 -47.84 -16.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.009 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 560' ' ' SER . 13.9 mt -81.28 -60.64 2.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.863 0.363 . . . . 0.0 110.702 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.44 48.01 1.58 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.753 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 14.3 p -53.16 153.05 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.528 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 85.6 p -72.11 -151.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -173.59 -59.28 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' THR . . . . . 0.438 ' HG1' ' N ' ' A' ' 568' ' ' SER . 57.9 p -47.82 -37.83 14.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.665 0.269 . . . . 0.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' SER . . . . . 0.438 ' N ' ' HG1' ' A' ' 567' ' ' THR . 24.5 p . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.51 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.514 ' C ' ' H ' ' B' ' 878' ' ' LYS . 7.8 m . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . 0.489 ' N ' HD21 ' B' ' 877' ' ' ASN . 1.8 m120 -73.16 38.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' B' ' 876' ' ' THR . 33.5 mttp -148.75 162.42 39.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.658 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 16.2 mt -144.42 92.24 6.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.67 145.13 16.05 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.462 1.441 . . . . 0.0 112.494 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.61 107.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 74.0 p -95.63 127.74 41.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 15.2 mt -124.36 112.97 27.79 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.81 124.56 4.62 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.616 1.544 . . . . 0.0 111.921 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 34.1 mt -55.69 -12.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.87 -22.55 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 887' ' ' SER . . . . . 0.505 ' O ' ' NH1' ' A' ' 520' ' ' ARG . 45.1 t -86.93 -18.96 29.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.43 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.6 m -134.87 -170.69 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.045 0.45 . . . . 0.0 110.208 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.1 t -140.76 108.29 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.64 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . 0.417 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 4.0 mm? -90.38 130.74 40.61 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.089 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.88 178.26 7.84 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.92 1.747 . . . . 0.0 111.676 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 892' ' ' SER . . . . . 0.52 ' HG ' ' N ' ' B' ' 893' ' ' ARG . 32.6 t 56.5 173.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . 0.52 ' N ' ' HG ' ' B' ' 892' ' ' SER . 3.7 ptp180 -171.3 87.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.579 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . 53.18 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -80.65 7.53 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -50.82 141.25 13.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.682 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 49.98 99.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -61.13 -38.81 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 37.6 m -55.6 -71.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.542 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.518 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -76.61 -5.8 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.81 -43.0 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -44.5 -56.48 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.47 ' CD2' ' H1 ' ' B' ' 876' ' ' THR . 10.1 mp -46.08 -47.29 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.299 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -50.04 -40.01 43.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.78 -25.23 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.85 -46.07 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.16 -57.34 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -47.02 -53.59 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.229 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.75 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -50.76 -55.65 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.152 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -57.27 -55.63 32.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.39 -52.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.611 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.55 -36.12 63.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 9.1 tpt -58.8 -37.75 77.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.554 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 518' ' ' ARG . 22.8 p -106.9 17.02 23.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.548 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 28.2 tp -93.5 119.38 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.7 mpt_? -101.41 -25.59 13.88 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.013 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -50.16 86.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 518' ' ' ARG . 4.9 ptp85 -52.55 -38.08 59.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.367 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -43.77 -31.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.412 HD13 HG22 ' A' ' 522' ' ' ILE . 13.1 mm -87.05 -55.74 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 111.167 -179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 9.9 mp -47.69 -27.87 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.785 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -76.46 -42.48 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -65.56 -48.59 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.85 -57.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.617 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 41.4 t -42.76 -63.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.91 0.386 . . . . 0.0 110.59 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -52.29 -27.1 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.724 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.98 -63.34 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.312 -179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.436 ' O ' ' OG1' ' A' ' 533' ' ' THR . 13.4 pt -65.99 -14.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.829 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -73.32 -47.56 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.303 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 532' ' ' GLU . 0.4 OUTLIER -59.31 -22.93 61.97 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.595 ' HG1' ' H ' ' A' ' 535' ' ' HIS . 36.2 p -75.79 -47.91 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.26 179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 107.19 2.49 35.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.595 ' H ' ' HG1' ' A' ' 533' ' ' THR . 9.8 m-70 -87.24 57.52 4.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.467 0.175 . . . . 0.0 111.018 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -146.86 160.1 42.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.934 0.397 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -136.77 105.64 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.9 134.08 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.503 ' HG1' HD21 ' A' ' 540' ' ' ASN . 2.3 t -147.03 163.69 35.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.716 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . 0.503 HD21 ' HG1' ' A' ' 539' ' ' THR . 62.5 m-80 42.1 -98.14 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 539' ' ' THR . 44.5 p -151.96 76.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.26 165.6 4.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.555 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -122.57 99.95 6.67 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.766 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.57 141.13 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.672 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -154.76 150.0 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . 0.441 ' O ' ' OG ' ' A' ' 549' ' ' SER . 17.3 m-20 -96.99 150.33 20.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.4 mm? -82.14 -41.62 20.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.238 0.542 . . . . 0.0 109.734 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 30.4 t -62.91 -2.6 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.792 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 546' ' ' ASP . 83.9 p -92.83 6.55 47.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.86 137.96 33.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 554' ' ' THR . 8.1 m-20 -82.4 145.56 29.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -40.07 -54.88 2.19 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 17.1 m -65.44 -25.61 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 551' ' ' ASP . 69.4 m -84.11 -24.83 30.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 53.9 t -65.09 -41.49 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -64.1 -33.14 75.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.13 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -79.99 -25.15 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.217 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 -54.41 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -63.33 -24.89 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.927 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 562' ' ' LEU . 40.9 t -66.23 -49.45 67.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.736 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -50.18 -9.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.12 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 560' ' ' SER . 42.7 mt -81.05 -59.28 2.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.178 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 564' ' ' THR . 31.0 mt-10 -73.15 -2.44 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' THR . . . . . 0.51 ' C ' ' H ' ' A' ' 566' ' ' GLY . 71.5 p 50.85 93.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 45.3 t -76.19 27.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 564' ' ' THR . . . 59.53 154.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.7 t -50.69 -12.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' SER . . . . . 0.473 ' H ' ' C ' ' A' ' 566' ' ' GLY . 32.0 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.501 ' C ' ' H ' ' B' ' 878' ' ' LYS . 37.7 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' B' ' 878' ' ' LYS . 20.7 m120 -77.36 29.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.651 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' B' ' 876' ' ' THR . 26.8 mmtp 57.44 148.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.874 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 12.4 mt -142.74 87.84 8.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.193 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.04 114.4 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 121.491 1.461 . . . . 0.0 111.915 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.0 t -105.88 121.4 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.3 m -96.76 130.24 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.502 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 95.4 mt -125.79 110.78 25.06 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.64 121.6 4.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 121.584 1.522 . . . . 0.0 111.735 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 19.4 mt -55.23 -13.79 1.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -74.62 -25.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.973 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 67.3 m -86.45 -20.68 27.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 13.9 m -128.97 -173.93 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.264 0.554 . . . . 0.0 110.87 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.26 113.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.756 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 4.2 mm? -88.2 124.47 66.49 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -39.55 106.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.895 1.73 . . . . 0.0 112.597 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 26.6 m -86.04 164.06 17.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.227 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -44.58 -26.4 0.36 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -75.99 154.12 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -46.34 152.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -60.5 -175.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 54.12 -98.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -77.98 157.27 29.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 20.7 m -165.44 17.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.544 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.43 -9.26 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -80.69 -38.06 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -45.7 -61.7 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.178 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.442 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.1 mp -43.96 -50.48 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.637 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -48.74 -49.45 38.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.654 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.47 -22.85 3.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.2 -41.65 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.05 -62.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.34 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -48.06 -54.13 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.087 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 510' ' ' LEU . 3.7 mm? -58.16 -52.87 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.89 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -46.89 -58.82 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.31 -52.15 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 7.6 tpt85 -48.63 -55.66 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.93 -41.31 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 20.0 ttt -51.89 -40.5 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.812 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.8 p -94.89 -19.83 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.617 0.246 . . . . 0.0 110.653 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.07 117.3 4.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.969 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -102.96 -11.78 17.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.238 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.22 101.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -65.68 -29.86 70.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -45.19 -34.55 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.0 mm -86.75 -50.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 52.4 mt -48.47 -25.55 1.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -73.19 -45.93 53.53 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.67 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -64.7 -53.58 45.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.4 ' O ' ' N ' ' A' ' 529' ' ' LEU . 97.6 mt -54.64 -60.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 50.1 t -41.45 -62.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -58.08 -21.56 46.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.635 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -69.23 -60.47 2.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.928 -179.457 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 533' ' ' THR . 38.2 pt -68.48 -39.42 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.333 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.415 ' N ' HG13 ' A' ' 530' ' ' ILE . 38.7 tt0 -44.6 -46.16 9.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.411 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.88 -27.95 67.13 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 530' ' ' ILE . 5.3 m -69.83 -49.19 55.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 112.7 -11.76 25.38 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.68 71.05 9.77 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.154 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 24.8 p90 -156.3 164.94 37.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.29 0.567 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.488 ' N ' ' CD2' ' A' ' 537' ' ' HIS . 3.4 p80 -144.11 99.29 3.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.862 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 5.5 mt -82.82 121.42 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.477 ' CG2' ' OG1' ' A' ' 542' ' ' THR . 10.0 t -82.95 -161.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . 0.507 ' C ' HD21 ' A' ' 540' ' ' ASN . 0.3 OUTLIER -42.91 -69.2 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 8.8 m -141.19 75.94 1.52 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 110.169 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' THR . . . . . 0.477 ' OG1' ' CG2' ' A' ' 539' ' ' THR . 0.0 OUTLIER -174.06 160.12 3.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.137 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -121.74 104.05 9.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.7 OUTLIER -108.19 140.93 40.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.959 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 545' ' ' PHE . 13.5 p90 -153.68 153.08 31.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.826 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 549' ' ' SER . 10.2 p-10 -102.31 146.6 27.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.1 mm? -79.42 -11.53 59.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.368 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 6.2 t -86.13 -7.58 58.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.725 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' SER . . . . . 0.449 ' N ' ' OD2' ' A' ' 546' ' ' ASP . 4.7 p -91.07 6.01 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 28.3 mt -83.32 131.17 35.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.441 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 555' ' ' VAL . 18.5 t70 -76.48 155.08 34.13 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -47.92 -54.99 10.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.816 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 71.0 m -66.16 -22.4 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 51.4 m -84.79 -27.73 26.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.687 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 36.1 t -64.79 -39.45 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . 0.689 HH12 HE22 ' A' ' 559' ' ' GLN . 26.6 mmt-85 -67.08 -31.85 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.87 -24.22 38.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.182 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.03 -51.59 13.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.295 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.689 HE22 HH12 ' A' ' 556' ' ' ARG . 17.7 mt-30 -66.04 -25.27 66.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.274 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 563' ' ' GLU . 63.7 p -64.53 -49.3 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.497 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -48.58 -28.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.081 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.54 -12.52 27.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 560' ' ' SER . 36.3 mt-10 -150.46 59.66 0.95 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 28.2 p -61.89 126.82 28.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 67.6 p -79.22 150.6 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' A' ' 568' ' ' SER . . . -170.49 90.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 82.8 p -59.74 -5.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' SER . . . . . 0.459 ' H ' ' C ' ' A' ' 566' ' ' GLY . 8.3 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.513 ' C ' ' H ' ' B' ' 878' ' ' LYS . 60.5 p . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -73.82 38.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.408 . . . . 0.0 110.442 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' B' ' 876' ' ' THR . 73.1 tttt -169.67 146.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.17 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 7.1 mt -136.87 87.97 19.0 Favored Pre-proline 0 C--N 1.33 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.46 131.59 11.68 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 121.111 1.207 . . . . 0.0 111.511 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.47 107.28 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 82.8 p -89.82 127.93 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.22 114.21 27.71 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -43.06 129.07 5.67 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.822 1.681 . . . . 0.0 112.285 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.02 -13.39 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.636 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.21 47.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 43.7 t -89.43 -13.7 37.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.47 -169.99 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 121.029 0.443 . . . . 0.0 110.18 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.74 146.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.921 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' B' ' 892' ' ' SER . 33.8 mt -108.49 101.58 43.49 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.234 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.79 78.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.175 1.916 . . . . 0.0 112.324 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 892' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 890' ' ' LEU . 4.3 t 178.25 13.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -51.81 -44.85 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.64 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -159.49 122.59 3.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' B' ' 895' ' ' GLU . 28.0 mp0 -75.43 -77.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -164.6 -58.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -160.3 81.1 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' B' ' 899' ' ' SER . 85.7 mtt180 55.58 67.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 899' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 898' ' ' ARG . 6.8 m 57.62 114.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -77.97 -8.63 58.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -53.74 -60.19 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.41 -61.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.207 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.449 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.0 mp -44.21 -48.86 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -50.3 -42.28 52.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -61.7 -26.98 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.512 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.1 mt -84.73 -45.01 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.2 -62.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -49.39 -53.21 23.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.832 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 18.5 tp -56.54 -49.78 73.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -52.83 -55.16 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -49.97 -51.28 42.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . 0.647 ' NH2' ' H ' ' A' ' 565' ' ' SER . 59.9 ttt180 -61.11 -40.17 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.042 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.9 -43.94 97.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 0.0 110.599 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 11.9 tpt -53.66 -38.9 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.464 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.1 p -90.4 -22.42 21.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 44.7 tp -54.29 141.61 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -136.44 3.91 2.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.164 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -57.76 109.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.361 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.532 ' NH1' ' NE2' ' A' ' 524' ' ' GLN . 61.8 ttt-85 -72.47 -23.37 61.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . 0.711 ' H ' ' ND1' ' A' ' 521' ' ' HIS . 0.2 OUTLIER -77.48 -27.5 51.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 522' ' ' ILE . 1.3 mp -88.2 -51.99 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.423 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 6.5 mp -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.923 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . 0.532 ' NE2' ' NH1' ' A' ' 520' ' ' ARG . 84.8 mt-30 -79.49 -42.16 25.86 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.51 -52.94 48.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 529' ' ' LEU . 75.3 mt -54.17 -58.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.63 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 49.9 t -41.78 -58.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.698 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.55 -20.94 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.436 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.4 OUTLIER -71.05 -62.67 1.31 Allowed 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.925 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 533' ' ' THR . 44.0 pt -66.69 -47.45 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.589 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 530' ' ' ILE . 28.0 tt0 -41.17 -42.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.04 -34.32 77.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 530' ' ' ILE . 30.6 p -69.49 -50.76 42.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 123.43 -16.48 8.0 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 549' ' ' SER . 13.3 m-70 -75.79 48.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.556 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -139.01 154.15 48.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.249 0.547 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -138.18 128.17 25.59 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.362 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 7.0 mt -110.09 121.43 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 62.6 p -85.56 -160.97 0.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -42.01 -68.72 0.17 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' THR . . . . . 0.41 ' C ' ' OG1' ' A' ' 542' ' ' THR . 34.5 p -144.1 75.87 1.48 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.075 0.464 . . . . 0.0 110.459 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' THR . . . . . 0.41 ' OG1' ' C ' ' A' ' 541' ' ' THR . 0.2 OUTLIER -173.79 165.19 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -118.64 103.26 9.53 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.22 138.87 42.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.048 0.452 . . . . 0.0 111.116 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -154.12 137.04 15.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -91.55 143.82 26.19 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 3.2 mm? -77.12 -20.58 55.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.547 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.94 -9.11 59.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' SER . . . . . 0.472 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 27.1 p -95.55 13.82 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.46 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 76.7 mt -87.77 161.24 17.69 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.754 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 554' ' ' THR . 1.1 m-20 -104.26 140.4 37.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.659 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -40.17 -55.14 2.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.552 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.0 m -66.08 -24.95 66.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.822 0.344 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 551' ' ' ASP . 88.6 m -82.72 -29.14 30.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 551' ' ' ASP . 67.2 t -65.66 -38.51 82.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -73.03 -23.27 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -83.23 -25.26 31.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 40.8 mt -80.98 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.426 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 19.7 mt-30 -43.86 -28.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 562' ' ' LEU . 67.2 m -68.22 -51.82 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -45.95 -15.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.621 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 560' ' ' SER . 9.4 mt -90.65 -49.64 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 51.9 33.76 12.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 68.9 p 42.15 70.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' SER . . . . . 0.647 ' H ' ' NH2' ' A' ' 513' ' ' ARG . 28.8 t -69.7 68.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.664 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.36 174.55 47.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.8 t -64.09 141.76 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.563 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.573 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.516 ' C ' ' H ' ' B' ' 878' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -73.86 38.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.65 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' B' ' 876' ' ' THR . 0.1 OUTLIER -158.91 145.34 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.081 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 11.3 mt -139.27 88.61 12.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -80.22 131.06 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 121.278 1.319 . . . . 0.0 111.307 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 91.9 t -125.65 106.69 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 17.9 p -99.45 124.78 44.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.223 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.4 143.49 39.65 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.56 133.24 27.33 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.922 1.748 . . . . 0.0 112.163 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.3 -12.47 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.455 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -73.21 -24.19 60.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 38.0 t -86.03 -12.03 51.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.421 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.43 -175.58 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.137 0.494 . . . . 0.0 110.266 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 5.0 t -139.93 117.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.837 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 2.7 mm? -81.37 150.07 66.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . 0.422 ' CD ' ' OE1' ' A' ' 531' ' ' GLU . 74.1 Cg_endo -72.57 113.4 3.72 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.486 2.124 . . . . 0.0 112.109 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 26.9 t -69.25 127.19 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.369 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -67.38 -60.65 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -77.77 155.4 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -157.98 -32.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -170.92 -67.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -165.46 -169.07 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -169.82 144.7 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 8.3 t -162.57 -71.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 82.1 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.546 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -124.81 -20.68 4.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -45.58 -61.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.668 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.606 ' CD2' ' H2 ' ' B' ' 876' ' ' THR . 10.1 mp -44.12 -50.9 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.558 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -47.74 -43.24 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.577 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.9 mt -81.69 -46.16 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.112 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 61.1 t -54.98 -58.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -44.6 -55.81 4.88 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.23 -54.84 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -44.68 -64.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -49.85 -50.24 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.544 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . 0.506 HH12 ' CB ' ' A' ' 564' ' ' THR . 55.2 mtp180 -60.74 -39.81 90.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.16 -45.08 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.429 . . . . 0.0 110.579 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 515' ' ' MET . 13.5 tmm? -52.94 -38.82 62.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.367 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.5 p -89.89 -22.75 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 42.7 tp -55.33 140.47 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -136.1 3.12 2.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.31 104.82 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -60.17 -37.6 80.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -43.05 -34.0 0.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.874 0.369 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 15.4 mm -87.77 -54.27 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.492 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 47.1 mt -48.84 -23.97 1.28 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -42.87 25.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.562 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -66.65 -51.48 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 529' ' ' LEU . 96.5 mt -58.59 -58.19 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 43.1 t -42.3 -59.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.405 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 528' ' ' ASN . 1.4 m120 -59.22 -23.67 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.2 OUTLIER -72.88 -64.01 1.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.471 HG13 ' N ' ' A' ' 531' ' ' GLU . 42.5 pt -65.79 -49.62 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.374 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.471 ' N ' HG13 ' A' ' 530' ' ' ILE . 25.5 tt0 -45.06 -41.56 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.257 0.551 . . . . 0.0 109.517 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.79 -41.43 95.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.062 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 530' ' ' ILE . 82.1 p -68.84 -50.94 45.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.63 -179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . 0.564 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 114.57 105.86 2.63 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 1.5 m170 165.29 50.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -138.8 151.46 47.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.18 0.514 . . . . 0.0 110.778 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -128.32 94.1 3.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.526 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 65.9 mt -90.88 135.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 541' ' ' THR . 96.5 m -147.96 153.83 39.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 31.9 t30 45.58 -93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.304 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.52 77.42 1.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.446 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -173.17 162.29 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.768 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -122.12 100.5 7.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 109.993 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.6 OUTLIER -101.77 138.93 38.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -153.9 136.44 15.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . 0.428 ' O ' ' OG ' ' A' ' 549' ' ' SER . 17.1 m-20 -90.65 133.72 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 110.242 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -69.53 -19.57 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.048 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 19.0 m -81.65 -9.38 59.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 546' ' ' ASP . 85.0 p -90.99 10.7 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.785 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 61.6 mt -86.44 -175.31 5.42 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.6 m-20 -131.12 134.68 46.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.658 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.41 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.9 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -178.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -68.68 -29.46 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 551' ' ' ASP . 50.1 m -86.27 -23.34 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.5 t -70.55 -29.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.394 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . 0.662 ' NH1' HE22 ' A' ' 559' ' ' GLN . 33.1 mmt-85 -74.66 -29.73 61.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -82.06 -23.7 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 48.7 mt -81.7 -64.85 1.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.641 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . 0.662 HE22 ' NH1' ' A' ' 556' ' ' ARG . 14.6 mt-30 -43.85 -26.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' SER . . . . . 0.506 ' C ' ' H ' ' A' ' 562' ' ' LEU . 25.6 p -63.51 -48.25 78.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.751 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -48.97 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.477 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 560' ' ' SER . 27.2 mt -105.39 -34.48 7.82 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 58.82 88.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' THR . . . . . 0.506 ' CB ' HH12 ' A' ' 513' ' ' ARG . 10.6 t -148.72 141.49 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.474 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 11.9 t 58.25 55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -69.07 -80.98 0.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 50.7 p -62.25 148.76 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.52 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.606 ' H2 ' ' CD2' ' A' ' 504' ' ' LEU . 52.6 m . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' B' ' 878' ' ' LYS . 17.5 t-20 -78.63 22.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.671 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' B' ' 876' ' ' THR . 93.4 mttt 56.57 149.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.969 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 12.9 mt -137.99 86.99 16.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -80.8 128.56 6.74 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.472 1.448 . . . . 0.0 111.081 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.35 107.05 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 19.9 m -97.92 126.54 43.37 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . 0.404 HG21 HD13 ' B' ' 883' ' ' ILE . 0.0 OUTLIER -123.5 143.5 41.67 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.24 131.42 26.64 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.765 1.643 . . . . 0.0 111.582 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' B' ' 888' ' ' VAL . 48.2 mt -60.59 -13.62 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.626 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.06 61.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.79 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 73.5 m -86.72 -12.73 47.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' B' ' 885' ' ' LEU . 7.4 m -139.82 -172.58 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.063 0.459 . . . . 0.0 110.158 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 16.5 t -140.72 130.28 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 72.9 mt -84.7 146.2 46.05 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.131 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.59 177.54 8.7 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.256 1.971 . . . . 0.0 111.898 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 14.3 m -78.95 147.8 32.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.339 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -172.95 143.93 1.23 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.43 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -159.77 -58.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.606 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 57.93 80.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 897' ' ' ALA . 38.2 ptt180 -66.23 -171.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' B' ' 896' ' ' ARG . . . 53.94 167.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -69.13 91.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 16.7 t -160.4 75.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.528 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 502' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -58.69 -5.85 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' A' ' 500' ' ' ASP . . . -63.22 -48.26 79.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.702 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -44.82 -61.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.417 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.467 ' CD1' ' H ' ' A' ' 504' ' ' LEU . 10.1 mp -44.6 -47.87 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.648 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.04 -41.63 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.716 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -61.49 -25.21 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.728 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.0 mt -85.13 -43.0 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.56 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.28 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.963 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -49.08 -54.6 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.063 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 4.6 mp -51.64 -47.27 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' HIS . . . . . 0.746 ' HD1' HH21 ' A' ' 512' ' ' ARG . 57.4 t-80 -59.36 -48.36 81.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.235 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.746 HH21 ' HD1' ' A' ' 511' ' ' HIS . 0.0 OUTLIER -53.32 -56.59 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.513 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -65.8 -35.5 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.519 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.94 -44.99 94.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.454 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 515' ' ' MET . 1.6 tmt? -53.9 -38.21 64.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.611 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 65.7 p -92.2 -23.5 19.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.657 0.265 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 41.8 tp -53.51 125.12 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.332 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -24.26 12.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.819 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 521' ' ' HIS . 0.9 OUTLIER -39.66 100.69 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.593 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -72.76 -31.76 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.31 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' HIS . . . . . 0.545 ' N ' ' OE1' ' A' ' 519' ' ' GLU . 11.2 t-80 -57.14 -37.68 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 11.7 mm -80.17 -51.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . 0.415 ' O ' ' CG2' ' A' ' 527' ' ' VAL . 6.2 mp -45.77 -27.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.661 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.71 -44.46 33.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.7 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -63.51 -50.82 68.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 529' ' ' LEU . 96.7 mt -56.63 -59.65 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.738 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 523' ' ' LEU . 55.8 t -41.9 -61.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.713 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -52.69 -23.85 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.3 OUTLIER -72.52 -63.04 1.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 531' ' ' GLU . 30.2 pt -67.38 -37.15 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.276 0.56 . . . . 0.0 110.25 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 530' ' ' ILE . 14.8 tm-20 -54.21 -48.78 70.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.19 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.325 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 8.7 m -69.41 -51.37 37.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.325 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.41 -24.39 5.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -73.31 55.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -147.43 158.29 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.09 0.472 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -135.55 146.56 48.15 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.578 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 79.6 mt -138.71 133.58 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.465 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' THR . . . . . 0.653 ' HG1' ' N ' ' A' ' 540' ' ' ASN . 0.7 OUTLIER -143.08 163.39 32.97 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.425 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . 0.653 ' N ' ' HG1' ' A' ' 539' ' ' THR . 1.3 p30 38.92 -95.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.635 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 539' ' ' THR . 43.9 p -151.54 77.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.85 165.9 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.602 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -124.49 100.21 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.809 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -105.63 143.44 33.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 111.27 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.05 147.8 24.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.013 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.07 146.32 26.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -79.42 -13.6 59.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.063 0.459 . . . . 0.0 109.986 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 13.1 t -88.59 -13.84 39.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.648 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 5.0 t -89.86 11.88 18.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.373 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.02 141.35 34.47 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 554' ' ' THR . 28.6 m-20 -84.21 143.95 29.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -40.3 -54.16 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.4 m -65.83 -26.6 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 551' ' ' ASP . 84.7 m -83.13 -22.01 33.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.562 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 551' ' ' ASP . 52.4 t -68.04 -44.3 84.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -65.94 -29.87 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.1 -30.52 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.971 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.169 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.66 -27.79 7.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.9 t -68.95 -55.63 10.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -45.93 -57.64 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.54 -49.5 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.72 -62.56 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 41.5 p -45.06 146.47 0.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.703 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 17.8 m 46.6 51.13 12.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.84 38.54 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 21.8 p -61.39 154.63 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.599 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 876' ' ' THR . . . . . 0.523 ' C ' ' H ' ' B' ' 878' ' ' LYS . 56.9 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -73.36 38.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 878' ' ' LYS . . . . . 0.523 ' H ' ' C ' ' B' ' 876' ' ' THR . 22.6 mtpp -148.78 156.8 42.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.823 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.39 88.16 10.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.79 140.35 14.55 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 121.549 1.499 . . . . 0.0 113.175 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 47.1 t -134.38 106.34 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.958 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 18.0 p -92.14 130.07 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.78 113.83 28.52 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.8 130.83 7.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.621 1.547 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 35.0 mt -60.17 -13.69 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.78 -23.29 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.738 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 29.1 t -87.26 -14.54 40.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.415 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.21 -170.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.03 0.443 . . . . 0.0 110.071 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 6.1 t -140.47 130.49 28.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.177 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 51.5 mt -87.8 112.65 50.25 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.477 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -42.85 114.36 0.42 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.824 1.682 . . . . 0.0 112.136 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 13.8 p -51.99 -17.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 69.5 mtm-85 -77.96 65.51 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -80.22 -85.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.514 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.61 -32.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 896' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 897' ' ' ALA . 42.1 ttp85 -47.7 136.65 10.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 897' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' B' ' 896' ' ' ARG . . . 48.38 -176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 74.9 mtm-85 48.18 80.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 68.8 m -63.68 94.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.58 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.16 32.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.681 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -45.56 -61.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 504' ' ' LEU . 9.7 mp -43.87 -51.95 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 0.0 110.444 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 505' ' ' ASP . . . . . 0.425 ' O ' ' OE1' ' A' ' 509' ' ' GLU . 20.4 t70 -46.87 -50.53 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.98 -24.53 6.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.5 mt -85.94 -43.61 13.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.29 -60.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 509' ' ' GLU . 1.8 mp0 -49.93 -53.39 26.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.022 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.48 -51.49 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.464 ' CG ' HD22 ' B' ' 879' ' ' LEU . 81.0 t60 -51.76 -57.02 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.815 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.478 HH12 HG21 ' A' ' 516' ' ' THR . 25.9 tpt85 -53.2 -53.07 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.57 -45.87 84.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 34.4 tpp -55.66 -38.71 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.547 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.478 HG21 HH12 ' A' ' 512' ' ' ARG . 72.9 p -93.05 -24.24 18.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.03 137.18 33.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 520' ' ' ARG . 7.9 tpm_? -125.98 -18.88 4.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.232 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 519' ' ' GLU . 0.0 OUTLIER -46.66 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.041 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 518' ' ' ARG . 79.4 mtm180 -60.76 -23.79 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -61.64 -33.05 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.63 -50.74 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.394 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 527' ' ' VAL . 52.1 mt -47.43 -28.72 2.25 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.566 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -76.19 -41.5 49.38 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -65.94 -54.43 26.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.621 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.593 HG23 HD21 ' A' ' 558' ' ' LEU . 94.2 mt -54.76 -59.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.368 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 523' ' ' LEU . 54.0 t -42.57 -63.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.609 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -51.48 -24.51 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.315 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 529' ' ' LEU . 0.3 OUTLIER -73.24 -63.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.445 ' O ' ' OG1' ' A' ' 533' ' ' THR . 11.2 pt -70.08 -14.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 111.295 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.77 -49.4 21.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.219 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.55 -28.79 68.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 530' ' ' ILE . 37.2 p -69.78 -49.23 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.434 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 114.8 -10.37 21.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -75.78 55.73 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.221 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -147.88 159.07 44.25 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -140.12 100.1 3.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.092 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 39.3 mt -83.32 134.7 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 29.6 p -98.95 -160.02 0.78 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.867 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -40.83 -67.94 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.643 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.84 76.41 1.43 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.486 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.51 165.37 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 543' ' ' PHE . . . . . 0.413 ' CE2' HG22 ' A' ' 527' ' ' VAL . 88.7 t80 -124.16 100.35 6.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.079 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -105.79 142.04 36.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.907 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -154.33 149.67 27.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.943 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -103.46 139.47 38.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.956 0.408 . . . . 0.0 110.247 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -72.03 -22.74 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.323 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 32.3 m -77.55 -10.54 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.628 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 6.7 p -90.73 5.38 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.422 HD11 HD13 ' A' ' 547' ' ' LEU . 65.0 mt -79.07 149.21 32.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.5 m-20 -92.62 142.29 27.54 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.837 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -40.64 -54.8 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -66.36 -22.97 66.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.583 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 551' ' ' ASP . 66.8 m -86.71 -22.96 25.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 551' ' ' ASP . 54.6 t -71.53 -39.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.295 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 556' ' ' ARG . . . . . 0.52 ' NH2' ' OE1' ' A' ' 559' ' ' GLN . 6.2 mmp_? -63.99 -28.26 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -85.37 -27.19 26.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.033 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.593 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -70.92 -50.17 37.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.194 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.52 ' OE1' ' NH2' ' A' ' 556' ' ' ARG . 57.1 mt-30 -67.25 -28.1 67.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.0 t -65.18 -48.75 72.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -47.38 -57.08 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.975 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.551 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.008 0.433 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.464 HD22 ' CG ' ' A' ' 511' ' ' HIS . 5.9 mt -133.59 88.05 35.08 Favored Pre-proline 0 C--N 1.33 -0.24 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.02 131.33 10.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 121.183 1.256 . . . . 0.0 111.467 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 70.1 t -126.08 114.01 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.7 p -93.69 129.17 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.74 113.39 28.7 Favored Pre-proline 0 N--CA 1.47 0.539 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.71 123.12 3.67 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.548 1.499 . . . . 0.0 111.708 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.43 -14.05 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.69 -23.39 49.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 19.8 m -84.52 -18.18 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.403 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.34 -170.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.164 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.0 t -140.65 118.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.078 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 890' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 890' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.537 0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.241 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.4 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.1 66.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -45.29 -61.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.2 mp -44.5 -50.05 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.94 -43.89 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.39 -24.42 63.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.1 -44.96 13.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.98 -56.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.81 -53.01 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.974 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.94 -53.31 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.499 ' CG ' HD22 ' B' ' 879' ' ' LEU . 83.4 t60 -49.71 -56.77 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.311 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -51.84 -55.32 20.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.557 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.06 -38.23 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.3 -46.46 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 8.5 ttt -51.39 -39.44 57.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.401 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.6 p -90.16 -22.85 21.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 52.2 tp -53.62 136.34 39.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.454 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -136.29 3.93 2.88 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -72.45 84.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -42.17 -29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' HIS . . . . . 0.427 ' HD1' ' C ' ' A' ' 521' ' ' HIS . 2.0 t-80 -53.7 -44.27 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 522' ' ' ILE . 1.5 mp -80.47 -50.51 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 527' ' ' VAL . 14.7 mt -45.99 -28.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.3 -43.05 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.719 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.92 -53.02 56.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 529' ' ' LEU . 71.4 mt -56.55 -59.93 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 523' ' ' LEU . 54.2 t -41.65 -58.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.739 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.94 -22.18 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -68.82 -61.33 1.85 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.334 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 531' ' ' GLU . 2.5 pp -67.95 -48.45 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 531' ' ' GLU . . . . . 0.696 ' N ' HD12 ' A' ' 530' ' ' ILE . 13.2 tm-20 -40.39 -43.33 1.76 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.109 0.481 . . . . 0.0 109.806 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -62.11 -42.38 99.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.959 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 530' ' ' ILE . 57.2 p -69.94 -53.26 18.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.66 -154.68 19.76 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 6.5 m80 61.68 58.59 1.98 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.441 -0.379 . . . . 0.0 111.465 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 31.0 p90 -148.34 157.68 43.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 109.905 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.6 93.58 2.98 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.081 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.425 ' CD1' HD22 ' B' ' 890' ' ' LEU . 97.2 mt -93.28 130.13 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 12.1 t -148.48 170.2 18.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 m120 41.93 -99.84 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.111 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 52.3 p -152.04 75.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.112 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' THR . . . . . 0.415 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -174.51 163.93 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.759 179.695 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 543' ' ' PHE . . . . . 0.469 ' CE2' HG22 ' A' ' 527' ' ' VAL . 16.8 t80 -125.13 103.65 8.1 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.04 142.11 35.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.833 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' PHE . . . . . 0.436 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 16.8 p90 -154.58 151.23 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.855 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 546' ' ' ASP . 6.2 p-10 -101.16 143.91 30.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.3 mm? -77.86 -11.36 59.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.323 . . . . 0.0 110.573 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 7.2 t -87.42 -9.41 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.98 2.83 50.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.041 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 547' ' ' LEU . 17.3 mt -84.57 156.76 21.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.327 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 552' ' ' LYS . 28.0 t0 -103.73 154.82 19.13 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 551' ' ' ASP . 46.9 mtpt -55.41 -33.79 63.82 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.535 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 553' ' ' THR . . . . . 0.407 HG22 ' NZ ' ' A' ' 557' ' ' LYS . 6.4 m -78.89 -27.67 43.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.975 0.417 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.1 m -87.33 -24.51 24.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.682 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 551' ' ' ASP . 25.2 t -69.93 -31.07 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' A' ' 559' ' ' GLN . 17.9 mmt-85 -71.5 -30.41 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.407 ' NZ ' HG22 ' A' ' 553' ' ' THR . 42.8 mttp -84.06 -26.25 29.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.353 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.9 mt -79.74 -48.44 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.963 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 556' ' ' ARG . 87.4 mt-30 -61.57 -29.39 69.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 562' ' ' LEU . 37.4 t -65.32 -50.63 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.351 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -46.21 -18.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.801 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 560' ' ' SER . 8.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 878' ' ' LYS . . . . . 0.405 ' HB2' ' HZ3' ' B' ' 878' ' ' LYS . 21.8 mtmm . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.499 HD22 ' CG ' ' A' ' 511' ' ' HIS . 9.6 mt -138.54 87.81 14.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.95 131.02 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 121.191 1.26 . . . . 0.0 111.436 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.4 t -130.37 110.82 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.8 m -94.92 130.68 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.118 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 883' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 883' ' ' ILE . 13.8 mt -122.19 113.22 31.19 Favored Pre-proline 0 N--CA 1.469 0.521 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.53 132.61 7.27 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.62 1.546 . . . . 0.0 112.134 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 885' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 542' ' ' THR . 26.1 mt -63.77 -13.32 42.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.1 -27.44 54.11 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 53.1 m -84.59 -12.69 53.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.485 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.94 -171.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.392 . . . . 0.0 110.074 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.52 124.42 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 890' ' ' LEU . . . . . 0.425 HD22 ' CD1' ' A' ' 538' ' ' ILE . 65.1 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.902 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.9 tttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ALA . . . . . 0.427 ' O ' ' OE2' ' A' ' 506' ' ' GLU . . . -55.43 -57.63 11.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.604 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -44.86 -61.49 1.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 6.7 tp -44.92 -43.1 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.51 -48.29 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 506' ' ' GLU . 0.3 OUTLIER -54.73 -25.59 28.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.095 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.17 -44.92 14.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.77 -62.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.33 -57.63 3.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.27 -53.39 58.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.562 ' CG ' HD22 ' B' ' 879' ' ' LEU . 52.5 t-80 -47.88 -62.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -49.02 -50.49 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -63.67 -36.59 84.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 514' ' ' LEU . 1.2 tt -60.63 -45.09 95.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.6 tpt -54.17 -38.71 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.5 p -90.68 -24.7 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 35.4 tp -51.24 117.1 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.587 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.1 tpt180 -110.04 -16.11 13.89 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -54.7 82.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mtm105 -50.09 -25.09 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.721 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.34 -30.43 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 18.3 mm -88.18 -50.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 111.356 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 527' ' ' VAL . 10.2 mp -46.83 -27.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.483 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -73.74 -46.46 45.77 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.124 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -63.73 -51.73 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 558' ' ' LEU . 90.7 mt -57.19 -60.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 523' ' ' LEU . 56.1 t -41.78 -61.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -56.79 -23.82 46.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.297 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -70.2 -62.23 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.49 -179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.614 HD12 ' N ' ' A' ' 531' ' ' GLU . 1.9 pp -67.35 -43.82 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 0.0 110.523 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 531' ' ' GLU . . . . . 0.614 ' N ' HD12 ' A' ' 530' ' ' ILE . 48.8 tp10 -43.06 -47.32 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.72 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -60.03 -28.78 68.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.238 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 530' ' ' ILE . 4.0 m -69.76 -50.54 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 117.55 -13.44 13.43 Favored Glycine 0 N--CA 1.468 0.789 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -73.92 59.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.295 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' PHE . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 531' ' ' GLU . 26.6 p90 -145.91 156.24 43.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.751 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.458 ' O ' ' CG ' ' A' ' 537' ' ' HIS . 20.3 p-80 -138.59 94.04 2.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.99 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.1 138.0 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.42 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 541' ' ' THR . 44.1 p -145.61 158.34 43.86 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 44.16 -97.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 539' ' ' THR . 18.5 p -151.45 76.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' THR . . . . . 0.441 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.0 165.67 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 543' ' ' PHE . . . . . 0.55 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 67.4 t80 -124.18 104.07 8.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.19 143.88 41.24 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' PHE . . . . . 0.55 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 10.1 p90 -154.58 152.15 29.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.994 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -102.82 145.12 30.25 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.91 -12.9 59.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 9.3 t -84.35 -16.52 42.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.598 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 7.9 t -88.07 11.02 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.45 HD11 HD13 ' A' ' 547' ' ' LEU . 57.9 mt -86.15 148.18 25.8 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.643 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.5 m-20 -93.08 136.77 33.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.963 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -40.46 -51.57 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.5 m -66.62 -25.4 66.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 551' ' ' ASP . 94.2 m -87.16 -20.02 27.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 551' ' ' ASP . 72.5 t -76.23 -29.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -73.02 -27.21 61.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -85.2 -23.92 28.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.112 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.457 HD22 HG23 ' A' ' 526' ' ' ILE . 45.7 mt -81.49 -66.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -43.89 -29.67 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.8 m -63.25 -43.86 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.559 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -53.15 -24.25 10.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.023 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.219 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 878' ' ' LYS . . . . . 0.421 ' NZ ' ' CB ' ' B' ' 878' ' ' LYS . 9.3 mtmp? . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.858 0.361 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.562 HD22 ' CG ' ' A' ' 511' ' ' HIS . 18.8 mt -144.89 87.74 7.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.463 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.87 139.53 13.9 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 121.651 1.567 . . . . 0.0 112.133 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 881' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 882' ' ' SER . 95.3 t -125.37 163.98 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.154 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 882' ' ' SER . . . . . 0.591 ' N ' HG12 ' B' ' 881' ' ' VAL . 4.2 m -149.43 129.13 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.366 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 47.6 mt -134.55 135.23 23.27 Favored Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.54 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.98 133.54 25.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.387 1.391 . . . . 0.0 111.071 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 885' ' ' LEU . . . . . 0.441 HD21 ' C ' ' A' ' 542' ' ' THR . 30.2 mt -60.7 -13.31 14.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.492 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.08 -24.95 51.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.229 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 22.9 p -87.05 -12.52 47.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.4 m -140.06 -169.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.107 0.48 . . . . 0.0 109.846 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.9 108.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.585 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.538 0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.079 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 8.3 mtmp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -75.76 -40.38 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -45.07 -61.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.0 mp -44.08 -51.29 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.48 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 505' ' ' ASP . 0.8 OUTLIER -48.31 -44.02 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.692 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.02 -26.19 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.9 mt -83.73 -44.96 13.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.72 -55.85 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -55.37 -52.01 64.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.141 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.88 -53.65 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.421 ' CG ' HD22 ' B' ' 879' ' ' LEU . 83.4 t60 -51.25 -56.71 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.697 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -51.45 -55.21 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.561 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -58.95 -40.67 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.005 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.32 -45.67 92.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.737 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 7.9 ttt -51.55 -39.27 57.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.681 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 59.5 p -91.99 -23.1 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 43.5 tp -52.72 129.03 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.756 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -136.56 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.008 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -141.01 88.83 2.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -45.24 -23.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.222 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -63.2 -40.0 96.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.995 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 526' ' ' ILE . 17.7 mm -87.1 -53.93 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 527' ' ' VAL . 10.1 mp -44.9 -20.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.223 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 522' ' ' ILE . 5.3 tp-100 -81.81 -41.58 20.89 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.942 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.82 -51.43 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 526' ' ' ILE . 1.8 mp -57.33 -59.42 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 523' ' ' LEU . 76.4 t -42.78 -59.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.39 -25.11 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.3 OUTLIER -68.04 -59.99 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.763 0.316 . . . . 0.0 110.814 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 531' ' ' GLU . 2.0 pp -70.17 -45.14 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.605 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' GLU . . . . . 0.521 ' OE1' ' CE2' ' A' ' 536' ' ' PHE . 50.0 mm-40 -44.38 -45.99 9.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.824 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.66 -37.07 86.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.8 m -69.13 -52.19 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.546 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 109.09 107.91 3.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 2.9 m-70 163.64 63.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' PHE . . . . . 0.521 ' CE2' ' OE1' ' A' ' 531' ' ' GLU . 30.7 p90 -153.64 160.97 42.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.206 0.527 . . . . 0.0 110.859 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -130.42 93.86 3.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.069 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.414 ' CD1' HD22 ' B' ' 890' ' ' LEU . 81.5 mt -93.38 131.75 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 541' ' ' THR . 6.1 p -146.63 165.75 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 42.25 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.99 0.424 . . . . 0.0 110.286 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 539' ' ' THR . 46.6 p -151.76 76.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.301 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' THR . . . . . 0.456 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.75 166.35 4.47 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.002 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -125.73 100.82 6.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.809 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 545' ' ' PHE . 36.8 t0 -104.01 142.24 34.78 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 545' ' ' PHE . . . . . 0.488 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 16.0 p90 -155.14 152.35 29.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.048 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -101.6 142.7 32.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.6 mm? -77.81 -11.65 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.6 t -88.6 -12.15 43.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 17.2 t -87.48 7.41 29.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.438 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.45 168.01 17.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.541 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.9 m-20 -118.4 137.54 53.06 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.459 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.8 OUTLIER -39.72 -46.08 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.3 m -69.23 -30.67 68.87 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.63 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 551' ' ' ASP . 7.5 m -85.07 -22.52 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.471 ' CG1' ' OE1' ' A' ' 559' ' ' GLN . 53.5 t -69.07 -30.11 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.019 0.437 . . . . 0.0 109.931 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' ARG . . . . . 0.462 ' CA ' ' HE ' ' A' ' 556' ' ' ARG . 0.0 OUTLIER -72.36 -37.39 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -77.32 -23.01 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 110.231 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.18 -60.76 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.471 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 20.8 mt-30 -50.23 -27.77 6.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.366 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 29.9 t -66.06 -52.39 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -49.88 -38.47 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.335 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 -179.661 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt . . . . . 0 C--O 1.231 0.107 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.421 HD22 ' CG ' ' A' ' 511' ' ' HIS . 7.1 mt -133.58 88.01 35.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.71 132.91 11.14 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 121.231 1.287 . . . . 0.0 111.443 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.91 109.67 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.7 m -91.97 133.25 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 883' ' ' ILE . . . . . 0.414 HG21 HD13 ' B' ' 883' ' ' ILE . 10.5 mt -125.4 113.08 25.72 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.34 133.66 6.68 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.636 1.557 . . . . 0.0 112.082 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 885' ' ' LEU . . . . . 0.456 HD21 ' C ' ' A' ' 542' ' ' THR . 28.3 mt -64.96 -13.8 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.776 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -75.2 -26.32 58.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.802 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 5.9 p -86.63 -10.4 53.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.72 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.61 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 121.127 0.489 . . . . 0.0 110.135 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.58 119.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.212 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 890' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 538' ' ' ILE . 66.6 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.073 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.899 0.38 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -68.6 -48.2 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -45.48 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.2 mp -43.96 -49.76 8.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.867 0.365 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.43 -48.15 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.03 -24.61 17.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.41 -44.57 12.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.418 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.55 -58.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.97 -52.25 35.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.47 -52.1 65.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.472 ' CG ' HD22 ' B' ' 879' ' ' LEU . 50.8 t-80 -48.52 -56.75 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.424 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.14 -53.34 51.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.683 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -57.12 -48.08 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.9 -41.02 86.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.679 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.4 tpt -55.68 -37.79 68.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.262 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.9 t -103.83 16.94 25.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 45.2 tp -92.99 117.0 29.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.855 0.359 . . . . 0.0 110.767 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.01 7.67 19.91 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.53 96.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.505 ' NH1' ' O ' ' B' ' 887' ' ' SER . 40.7 mtp85 -58.15 -23.51 55.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.247 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.22 -40.19 96.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.335 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.12 -49.71 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 120.55 0.214 . . . . 0.0 110.6 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 527' ' ' VAL . 8.5 mp -45.55 -31.71 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.327 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.2 -40.67 59.06 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.732 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -66.57 -54.7 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 558' ' ' LEU . 86.8 mt -54.66 -59.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 523' ' ' LEU . 64.5 t -41.65 -63.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.635 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -53.52 -20.46 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.531 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.3 OUTLIER -73.76 -65.26 0.85 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.489 ' C ' HD12 ' A' ' 530' ' ' ILE . 1.4 pp -66.14 -16.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.886 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -73.71 -48.88 28.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.84 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.53 -12.97 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.338 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 12.7 m -83.37 -47.82 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 108.54 -1.12 32.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.486 ' CE1' ' OG ' ' A' ' 549' ' ' SER . 3.2 t-160 -88.56 62.54 6.59 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 122.768 -0.254 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 28.3 p90 -144.24 157.62 44.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.21 0.528 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -131.65 94.16 3.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.825 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.82 135.3 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 541' ' ' THR . 11.8 t -151.59 160.87 43.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.782 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 27.0 t30 44.26 -97.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.294 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.7 77.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.227 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' THR . . . . . 0.471 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.09 159.62 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 543' ' ' PHE . . . . . 0.505 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 57.3 t80 -121.29 100.54 7.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.45 142.65 34.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.197 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 36.5 p90 -157.55 162.03 38.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.674 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -111.26 149.45 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.57 -30.47 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.977 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.31 -6.04 43.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.729 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' SER . . . . . 0.486 ' OG ' ' CE1' ' A' ' 535' ' ' HIS . 36.4 m -90.91 4.86 50.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.93 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 29.3 mt -86.3 144.79 27.21 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 554' ' ' THR . 7.8 m-20 -88.68 144.56 26.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.468 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 12.6 mptt -41.56 -54.7 3.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.757 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.7 m -66.24 -22.65 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.441 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 551' ' ' ASP . 61.1 m -85.98 -25.98 25.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.528 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.4 t -64.7 -35.71 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -62.75 -43.92 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.556 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 557' ' ' LYS . 0.5 OUTLIER -72.86 -28.91 62.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.096 0.474 . . . . 0.0 110.191 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -68.4 -54.35 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.372 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.44 ' NE2' ' CG1' ' A' ' 555' ' ' VAL . 70.7 mt-30 -65.79 -27.04 67.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 562' ' ' LEU . 15.1 t -67.24 -48.0 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.937 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 557' ' ' LYS . 29.7 m-85 -47.84 -16.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.009 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 560' ' ' SER . 13.9 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.863 0.363 . . . . 0.0 110.702 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 33.5 mttp . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' A' ' 511' ' ' HIS . 16.2 mt -144.42 92.24 6.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.67 145.13 16.05 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.462 1.441 . . . . 0.0 112.494 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.61 107.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 74.0 p -95.63 127.74 41.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 883' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 883' ' ' ILE . 15.2 mt -124.36 112.97 27.79 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.81 124.56 4.62 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.616 1.544 . . . . 0.0 111.921 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 885' ' ' LEU . . . . . 0.471 HD21 ' C ' ' A' ' 542' ' ' THR . 34.1 mt -55.69 -12.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.87 -22.55 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 887' ' ' SER . . . . . 0.505 ' O ' ' NH1' ' A' ' 520' ' ' ARG . 45.1 t -86.93 -18.96 29.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.43 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.6 m -134.87 -170.69 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.045 0.45 . . . . 0.0 110.208 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.1 t -140.76 108.29 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.64 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 890' ' ' LEU . . . . . 0.422 ' N ' HD22 ' B' ' 890' ' ' LEU . 4.0 mm? . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.089 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.81 -43.0 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -44.5 -56.48 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -46.08 -47.29 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.299 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -50.04 -40.01 43.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.78 -25.23 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.85 -46.07 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.16 -57.34 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -47.02 -53.59 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.229 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.75 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.522 ' CG ' HD22 ' B' ' 879' ' ' LEU . 65.0 t60 -50.76 -55.65 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.152 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -57.27 -55.63 32.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.39 -52.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.611 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.55 -36.12 63.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 9.1 tpt -58.8 -37.75 77.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.554 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 518' ' ' ARG . 22.8 p -106.9 17.02 23.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.548 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 28.2 tp -93.5 119.38 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.7 mpt_? -101.41 -25.59 13.88 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.013 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -50.16 86.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 520' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 518' ' ' ARG . 4.9 ptp85 -52.55 -38.08 59.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.367 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -43.77 -31.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.1 mm -87.05 -55.74 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 111.167 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 527' ' ' VAL . 9.9 mp -47.69 -27.87 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.785 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -76.46 -42.48 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -65.56 -48.59 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.612 HG23 HD21 ' A' ' 558' ' ' LEU . 97.0 mt -61.85 -57.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.617 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 523' ' ' LEU . 41.4 t -42.76 -63.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.91 0.386 . . . . 0.0 110.59 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -52.29 -27.1 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.724 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.476 HD13 ' C ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -71.98 -63.34 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.312 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 530' ' ' ILE . . . . . . . . . . . . . 13.4 pt -65.99 -14.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.829 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -73.32 -47.56 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.303 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 532' ' ' GLU . 0.4 OUTLIER -59.31 -22.93 61.97 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 36.2 p -75.79 -47.91 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.26 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 107.19 2.49 35.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.24 57.52 4.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.467 0.175 . . . . 0.0 111.018 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -146.86 160.1 42.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.934 0.397 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -136.77 105.64 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.9 134.08 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 541' ' ' THR . 2.3 t -147.03 163.69 35.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.716 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 24.0 m120 42.1 -98.14 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 539' ' ' THR . 44.5 p -151.96 76.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.26 165.6 4.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.555 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' PHE . . . . . 0.447 ' CE2' HG22 ' A' ' 527' ' ' VAL . 84.0 t80 -122.57 99.95 6.67 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.766 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.57 141.13 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.672 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -154.76 150.0 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 549' ' ' SER . 17.3 m-20 -96.99 150.33 20.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.4 mm? -82.14 -41.62 20.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.238 0.542 . . . . 0.0 109.734 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 30.4 t -62.91 -2.6 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.792 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 546' ' ' ASP . 83.9 p -92.83 6.55 47.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.86 137.96 33.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 554' ' ' THR . 8.1 m-20 -82.4 145.56 29.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.435 ' H ' ' HE2' ' A' ' 552' ' ' LYS . 1.5 mppt? -40.07 -54.88 2.19 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 17.1 m -65.44 -25.61 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 551' ' ' ASP . 69.4 m -84.11 -24.83 30.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 53.9 t -65.09 -41.49 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -64.1 -33.14 75.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.13 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -79.99 -25.15 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.217 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.612 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -74.78 -54.41 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -179.713 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -63.33 -24.89 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.927 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 562' ' ' LEU . 40.9 t -66.23 -49.45 67.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.736 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -50.18 -9.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.12 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 560' ' ' SER . 42.7 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.178 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.155 0.503 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 511' ' ' HIS . 12.4 mt -142.74 87.84 8.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.193 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.04 114.4 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 121.491 1.461 . . . . 0.0 111.915 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.0 t -105.88 121.4 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.3 m -96.76 130.24 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.502 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 95.4 mt -125.79 110.78 25.06 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.64 121.6 4.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 121.584 1.522 . . . . 0.0 111.735 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 19.4 mt -55.23 -13.79 1.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -74.62 -25.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.973 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 67.3 m -86.45 -20.68 27.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 13.9 m -128.97 -173.93 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.264 0.554 . . . . 0.0 110.87 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.26 113.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.756 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 890' ' ' LEU . . . . . 0.508 HD22 ' N ' ' B' ' 890' ' ' LEU . 4.2 mm? . . . . . 0 CA--C 1.54 0.575 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 53.5 mttp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -80.69 -38.06 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -45.7 -61.7 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.178 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -43.96 -50.48 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.637 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -48.74 -49.45 38.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.654 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.47 -22.85 3.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.2 -41.65 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.05 -62.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.34 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -48.06 -54.13 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.087 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 510' ' ' LEU . 3.7 mm? -58.16 -52.87 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.89 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.531 ' CG ' HD22 ' B' ' 879' ' ' LEU . 77.2 t60 -46.89 -58.82 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.31 -52.15 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 7.6 tpt85 -48.63 -55.66 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.93 -41.31 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 20.0 ttt -51.89 -40.5 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.812 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.8 p -94.89 -19.83 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.617 0.246 . . . . 0.0 110.653 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.07 117.3 4.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.969 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -102.96 -11.78 17.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.238 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.22 101.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -65.68 -29.86 70.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -45.19 -34.55 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.0 mm -86.75 -50.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' ' 527' ' ' VAL . 52.4 mt -48.47 -25.55 1.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -73.19 -45.93 53.53 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.67 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -64.7 -53.58 45.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.599 HG23 HD21 ' A' ' 558' ' ' LEU . 97.6 mt -54.64 -60.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 523' ' ' LEU . 50.1 t -41.45 -62.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -58.08 -21.56 46.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.635 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -69.23 -60.47 2.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.928 -179.457 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 533' ' ' THR . 38.2 pt -68.48 -39.42 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.333 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 531' ' ' GLU . . . . . 0.434 ' N ' HG13 ' A' ' 530' ' ' ILE . 38.7 tt0 -44.6 -46.16 9.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.411 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.88 -27.95 67.13 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 530' ' ' ILE . 5.3 m -69.83 -49.19 55.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 112.7 -11.76 25.38 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.68 71.05 9.77 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.154 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 24.8 p90 -156.3 164.94 37.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.29 0.567 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -144.11 99.29 3.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.862 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 542' ' ' THR . 5.5 mt -82.82 121.42 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.477 ' CG2' ' OG1' ' A' ' 542' ' ' THR . 10.0 t -82.95 -161.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' ASN . . . . . 0.427 ' N ' ' OG1' ' A' ' 539' ' ' THR . 44.3 t-20 -42.91 -69.2 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 8.8 m -141.19 75.94 1.52 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 110.169 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -174.06 160.12 3.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.137 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 543' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 527' ' ' VAL . 89.2 t80 -121.74 104.05 9.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.7 OUTLIER -108.19 140.93 40.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.959 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 545' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 545' ' ' PHE . 13.5 p90 -153.68 153.08 31.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.826 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 549' ' ' SER . 10.2 p-10 -102.31 146.6 27.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.1 mm? -79.42 -11.53 59.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.368 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 6.2 t -86.13 -7.58 58.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.725 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' SER . . . . . 0.449 ' N ' ' OD2' ' A' ' 546' ' ' ASP . 4.7 p -91.07 6.01 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.401 HD11 HD13 ' A' ' 547' ' ' LEU . 28.3 mt -83.32 131.17 35.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.441 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 555' ' ' VAL . 18.5 t70 -76.48 155.08 34.13 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -47.92 -54.99 10.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.816 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 71.0 m -66.16 -22.4 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 51.4 m -84.79 -27.73 26.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.687 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 36.1 t -64.79 -39.45 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' ARG . . . . . 0.402 ' NH1' ' OE1' ' A' ' 559' ' ' GLN . 26.6 mmt-85 -67.08 -31.85 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.87 -24.22 38.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.182 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.599 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -75.03 -51.59 13.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.295 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.402 ' OE1' ' NH1' ' A' ' 556' ' ' ARG . 77.5 mt-30 -66.04 -25.27 66.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.274 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 63.7 p -64.53 -49.3 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.497 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -48.58 -28.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.081 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.86 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 73.1 tttt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.759 0.314 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 511' ' ' HIS . 7.1 mt -136.87 87.97 19.0 Favored Pre-proline 0 C--N 1.33 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.46 131.59 11.68 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 121.111 1.207 . . . . 0.0 111.511 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.47 107.28 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 82.8 p -89.82 127.93 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.22 114.21 27.71 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -43.06 129.07 5.67 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.822 1.681 . . . . 0.0 112.285 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 885' ' ' LEU . . . . . 0.463 HD21 ' C ' ' A' ' 542' ' ' THR . 31.9 mt -62.02 -13.39 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.636 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.21 47.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 43.7 t -89.43 -13.7 37.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.47 -169.99 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 121.029 0.443 . . . . 0.0 110.18 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.74 146.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.921 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 890' ' ' LEU . . . . . 0.406 HD11 HD22 ' B' ' 885' ' ' LEU . 33.8 mt . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.234 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -53.74 -60.19 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.41 -61.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.207 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.0 mp -44.21 -48.86 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -50.3 -42.28 52.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -61.7 -26.98 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.512 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.1 mt -84.73 -45.01 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.2 -62.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -49.39 -53.21 23.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.832 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.532 HD11 HD11 ' A' ' 562' ' ' LEU . 18.5 tp -56.54 -49.78 73.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.527 ' CG ' HD22 ' B' ' 879' ' ' LEU . 78.1 t60 -52.83 -55.16 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -49.97 -51.28 42.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.11 -40.17 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.042 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.9 -43.94 97.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 0.0 110.599 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 11.9 tpt -53.66 -38.9 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.464 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.1 p -90.4 -22.42 21.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 44.7 tp -54.29 141.61 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -136.44 3.91 2.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.164 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' ' 523' ' ' LEU . 61.8 mt-10 -57.76 109.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.361 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -72.47 -23.37 61.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.717 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 521' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 521' ' ' HIS . 0.2 OUTLIER -77.48 -27.5 51.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 522' ' ' ILE . 1.3 mp -88.2 -51.99 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 527' ' ' VAL . 6.5 mp -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.923 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -79.49 -42.16 25.86 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.51 -52.94 48.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.447 HG23 HD22 ' A' ' 558' ' ' LEU . 75.3 mt -54.17 -58.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.63 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 523' ' ' LEU . 49.9 t -41.78 -58.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.698 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -61.55 -20.94 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.436 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -71.05 -62.67 1.31 Allowed 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.925 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 533' ' ' THR . 44.0 pt -66.69 -47.45 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.589 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 531' ' ' GLU . . . . . 0.471 ' N ' HG13 ' A' ' 530' ' ' ILE . 28.0 tt0 -41.17 -42.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.04 -34.32 77.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 530' ' ' ILE . 30.6 p -69.49 -50.76 42.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 123.43 -16.48 8.0 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 549' ' ' SER . 13.3 m-70 -75.79 48.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.556 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -139.01 154.15 48.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.249 0.547 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -138.18 128.17 25.59 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.362 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 542' ' ' THR . 7.0 mt -110.09 121.43 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 62.6 p -85.56 -160.97 0.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -42.01 -68.72 0.17 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' THR . . . . . 0.41 ' C ' ' OG1' ' A' ' 542' ' ' THR . 34.5 p -144.1 75.87 1.48 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.075 0.464 . . . . 0.0 110.459 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 542' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.2 OUTLIER -173.79 165.19 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 543' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 530' ' ' ILE . 89.9 t80 -118.64 103.26 9.53 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.22 138.87 42.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.048 0.452 . . . . 0.0 111.116 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -154.12 137.04 15.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -91.55 143.82 26.19 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 547' ' ' LEU . 3.2 mm? -77.12 -20.58 55.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.547 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.94 -9.11 59.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' SER . . . . . 0.472 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 27.1 p -95.55 13.82 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.46 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 550' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 547' ' ' LEU . 76.7 mt -87.77 161.24 17.69 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 554' ' ' THR . 1.1 m-20 -104.26 140.4 37.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.659 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -40.17 -55.14 2.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.552 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.0 m -66.08 -24.95 66.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.822 0.344 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 551' ' ' ASP . 88.6 m -82.72 -29.14 30.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 551' ' ' ASP . 67.2 t -65.66 -38.51 82.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -73.03 -23.27 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -83.23 -25.26 31.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 526' ' ' ILE . 40.8 mt -80.98 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' GLN . . . . . 0.426 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 19.7 mt-30 -43.86 -28.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 562' ' ' LEU . 67.2 m -68.22 -51.82 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -45.95 -15.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.621 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.532 HD11 HD11 ' A' ' 510' ' ' LEU . 9.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.697 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 878' ' ' LYS . . . . . 0.431 ' NZ ' ' CB ' ' B' ' 878' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.864 0.364 . . . . 0.0 110.081 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 511' ' ' HIS . 11.3 mt -139.27 88.61 12.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -80.22 131.06 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 121.278 1.319 . . . . 0.0 111.307 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 881' ' ' VAL . . . . . 0.425 HG22 ' CE1' ' A' ' 511' ' ' HIS . 91.9 t -125.65 106.69 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 17.9 p -99.45 124.78 44.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.223 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.4 143.49 39.65 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.56 133.24 27.33 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.922 1.748 . . . . 0.0 112.163 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.3 -12.47 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.455 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -73.21 -24.19 60.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 38.0 t -86.03 -12.03 51.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.421 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.43 -175.58 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.137 0.494 . . . . 0.0 110.266 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 5.0 t -139.93 117.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.837 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 890' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 2.7 mm? . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.878 0.371 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -45.58 -61.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.668 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -44.12 -50.9 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.558 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -47.74 -43.24 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.577 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.9 mt -81.69 -46.16 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.112 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 61.1 t -54.98 -58.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -44.6 -55.81 4.88 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.23 -54.84 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' HIS . . . . . 0.553 ' CG ' HD22 ' B' ' 879' ' ' LEU . 86.6 t60 -44.68 -64.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -49.85 -50.24 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.544 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.74 -39.81 90.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.16 -45.08 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.429 . . . . 0.0 110.579 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 515' ' ' MET . 13.5 tmm? -52.94 -38.82 62.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.367 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.5 p -89.89 -22.75 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 42.7 tp -55.33 140.47 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -136.1 3.12 2.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.31 104.82 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -60.17 -37.6 80.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -43.05 -34.0 0.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.874 0.369 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 15.4 mm -87.77 -54.27 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 527' ' ' VAL . 47.1 mt -48.84 -23.97 1.28 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -42.87 25.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.562 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -66.65 -51.48 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 529' ' ' LEU . 96.5 mt -58.59 -58.19 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 523' ' ' LEU . 43.1 t -42.3 -59.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.405 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.22 -23.67 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.164 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.2 OUTLIER -72.88 -64.01 1.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 531' ' ' GLU . 42.5 pt -65.79 -49.62 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.374 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 530' ' ' ILE . 25.5 tt0 -45.06 -41.56 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.257 0.551 . . . . 0.0 109.517 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.79 -41.43 95.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.062 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 82.1 p -68.84 -50.94 45.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.63 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' GLY . . . . . 0.564 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 114.57 105.86 2.63 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 535' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 1.5 m170 165.29 50.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -138.8 151.46 47.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.18 0.514 . . . . 0.0 110.778 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -128.32 94.1 3.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.526 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 65.9 mt -90.88 135.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 541' ' ' THR . 96.5 m -147.96 153.83 39.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' ASN . . . . . 0.419 ' N ' HG22 ' A' ' 539' ' ' THR . 20.6 t-20 45.58 -93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.304 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.52 77.42 1.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.446 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' THR . . . . . 0.477 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.1 OUTLIER -173.17 162.29 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.768 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -122.12 100.5 7.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 109.993 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.6 OUTLIER -101.77 138.93 38.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -153.9 136.44 15.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.65 133.72 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 110.242 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -69.53 -19.57 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.048 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 19.0 m -81.65 -9.38 59.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 85.0 p -90.99 10.7 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 61.6 mt -86.44 -175.31 5.42 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.6 m-20 -131.12 134.68 46.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.658 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.488 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.9 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -178.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -68.68 -29.46 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 551' ' ' ASP . 50.1 m -86.27 -23.34 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.5 t -70.55 -29.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.394 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -74.66 -29.73 61.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -82.06 -23.7 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.402 HD22 HG23 ' A' ' 526' ' ' ILE . 48.7 mt -81.7 -64.85 1.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.641 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -43.85 -26.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' SER . . . . . 0.48 ' C ' ' N ' ' A' ' 562' ' ' LEU . 25.6 p -63.51 -48.25 78.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.751 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -48.97 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.477 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' LEU . . . . . 0.48 ' N ' ' C ' ' A' ' 560' ' ' SER . 27.2 mt . . . . . 0 N--CA 1.464 0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.088 0.47 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 879' ' ' LEU . . . . . 0.553 HD22 ' CG ' ' A' ' 511' ' ' HIS . 12.9 mt -137.99 86.99 16.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -80.8 128.56 6.74 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.472 1.448 . . . . 0.0 111.081 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.35 107.05 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 19.9 m -97.92 126.54 43.37 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.5 143.5 41.67 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.24 131.42 26.64 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.765 1.643 . . . . 0.0 111.582 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 885' ' ' LEU . . . . . 0.477 HD21 ' C ' ' A' ' 542' ' ' THR . 48.2 mt -60.59 -13.62 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.626 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.06 61.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.79 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 73.5 m -86.72 -12.73 47.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 888' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' B' ' 885' ' ' LEU . 7.4 m -139.82 -172.58 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.063 0.459 . . . . 0.0 110.158 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 16.5 t -140.72 130.28 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.131 179.713 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.5 mttt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.26 79.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -44.82 -61.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.417 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -44.6 -47.87 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.648 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.04 -41.63 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.716 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' GLU . . . . . 0.426 ' O ' HD13 ' A' ' 510' ' ' LEU . 57.1 mt-10 -61.49 -25.21 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.728 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.0 mt -85.13 -43.0 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.56 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.28 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.963 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -49.08 -54.6 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.063 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 506' ' ' GLU . 4.6 mp -51.64 -47.27 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -59.36 -48.36 81.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.528 ' HE ' ' CA ' ' A' ' 512' ' ' ARG . 0.0 OUTLIER -53.32 -56.59 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.513 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -65.8 -35.5 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.519 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.94 -44.99 94.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.454 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 515' ' ' MET . 1.6 tmt? -53.9 -38.21 64.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.611 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 65.7 p -92.2 -23.5 19.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.657 0.265 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 519' ' ' GLU . 41.8 tp -53.51 125.12 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.332 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -24.26 12.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.819 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 519' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 521' ' ' HIS . 0.9 OUTLIER -39.66 100.69 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.593 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -72.76 -31.76 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.31 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 521' ' ' HIS . . . . . 0.545 ' N ' ' OE1' ' A' ' 519' ' ' GLU . 11.2 t-80 -57.14 -37.68 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 11.7 mm -80.17 -51.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 523' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 527' ' ' VAL . 6.2 mp -45.77 -27.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.661 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.71 -44.46 33.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.7 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -63.51 -50.82 68.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ILE . . . . . 0.49 HG23 HD21 ' A' ' 558' ' ' LEU . 96.7 mt -56.63 -59.65 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.738 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 527' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 523' ' ' LEU . 55.8 t -41.9 -61.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.713 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -52.69 -23.85 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 529' ' ' LEU . 0.3 OUTLIER -72.52 -63.04 1.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 530' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 531' ' ' GLU . 30.2 pt -67.38 -37.15 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.276 0.56 . . . . 0.0 110.25 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 531' ' ' GLU . . . . . 0.446 ' N ' HG13 ' A' ' 530' ' ' ILE . 14.8 tm-20 -54.21 -48.78 70.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.19 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.325 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 8.7 m -69.41 -51.37 37.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.325 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.41 -24.39 5.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -73.31 55.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -147.43 158.29 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.09 0.472 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -135.55 146.56 48.15 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.578 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 79.6 mt -138.71 133.58 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.465 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' THR . . . . . 0.495 HG23 HD21 ' A' ' 540' ' ' ASN . 0.7 OUTLIER -143.08 163.39 32.97 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.425 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 540' ' ' ASN . . . . . 0.495 HD21 HG23 ' A' ' 539' ' ' THR . 1.3 p30 38.92 -95.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.635 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 539' ' ' THR . 43.9 p -151.54 77.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' THR . . . . . 0.454 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.1 OUTLIER -172.85 165.9 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.602 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -124.49 100.21 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.809 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -105.63 143.44 33.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 111.27 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.05 147.8 24.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.013 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.07 146.32 26.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -79.42 -13.6 59.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.063 0.459 . . . . 0.0 109.986 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 548' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 13.1 t -88.59 -13.84 39.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.648 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 5.0 t -89.86 11.88 18.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.373 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.02 141.35 34.47 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 554' ' ' THR . 28.6 m-20 -84.21 143.95 29.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.459 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 4.6 mptp? -40.3 -54.16 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.4 m -65.83 -26.6 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 551' ' ' ASP . 84.7 m -83.13 -22.01 33.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.562 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 551' ' ' ASP . 52.4 t -68.04 -44.3 84.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -65.94 -29.87 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.1 -30.52 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.971 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.49 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -69.06 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.169 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.66 -27.79 7.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.9 t -68.95 -55.63 10.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -45.93 -57.64 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.585 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp . . . . . 0 N--CA 1.457 -0.107 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.39 88.16 10.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.79 140.35 14.55 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 121.549 1.499 . . . . 0.0 113.175 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 47.1 t -134.38 106.34 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.958 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 18.0 p -92.14 130.07 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.78 113.83 28.52 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.8 130.83 7.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.621 1.547 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 885' ' ' LEU . . . . . 0.454 HD21 ' C ' ' A' ' 542' ' ' THR . 35.0 mt -60.17 -13.69 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.78 -23.29 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.738 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 29.1 t -87.26 -14.54 40.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.415 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.21 -170.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.03 0.443 . . . . 0.0 110.071 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 6.1 t -140.47 130.49 28.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.177 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.537 0.478 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.477 -179.708 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 52.5 t0 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -78.59 -4.27 47.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.465 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.16 32.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.681 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -45.56 -61.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 504' ' ' LEU . 9.7 mp -43.87 -51.95 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 0.0 110.444 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' ASP . . . . . 0.425 ' O ' ' OE1' ' A' ' 509' ' ' GLU . 20.4 t70 -46.87 -50.53 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.98 -24.53 6.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.5 mt -85.94 -43.61 13.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.29 -60.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 509' ' ' GLU . 1.8 mp0 -49.93 -53.39 26.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.022 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.48 -51.49 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.464 ' CG ' HD22 ' B' ' 879' ' ' LEU . 81.0 t60 -51.76 -57.02 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.815 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.478 HH12 HG21 ' A' ' 516' ' ' THR . 25.9 tpt85 -53.2 -53.07 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.57 -45.87 84.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 34.4 tpp -55.66 -38.71 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.547 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.478 HG21 HH12 ' A' ' 512' ' ' ARG . 72.9 p -93.05 -24.24 18.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.03 137.18 33.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 520' ' ' ARG . 7.9 tpm_? -125.98 -18.88 4.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.232 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 519' ' ' GLU . 0.0 OUTLIER -46.66 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.041 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 518' ' ' ARG . 79.4 mtm180 -60.76 -23.79 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -61.64 -33.05 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.63 -50.74 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.394 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 527' ' ' VAL . 52.1 mt -47.43 -28.72 2.25 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.566 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -76.19 -41.5 49.38 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -65.94 -54.43 26.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.621 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.593 HG23 HD21 ' A' ' 558' ' ' LEU . 94.2 mt -54.76 -59.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.368 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 523' ' ' LEU . 54.0 t -42.57 -63.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.609 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -51.48 -24.51 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.315 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 529' ' ' LEU . 0.3 OUTLIER -73.24 -63.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.445 ' O ' ' OG1' ' A' ' 533' ' ' THR . 11.2 pt -70.08 -14.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 111.295 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.77 -49.4 21.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.219 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.55 -28.79 68.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 530' ' ' ILE . 37.2 p -69.78 -49.23 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.434 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 114.8 -10.37 21.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -75.78 55.73 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.221 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -147.88 159.07 44.25 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -140.12 100.1 3.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.092 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 39.3 mt -83.32 134.7 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 29.6 p -98.95 -160.02 0.78 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.867 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -40.83 -67.94 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.643 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.84 76.41 1.43 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.486 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.51 165.37 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' PHE . . . . . 0.413 ' CE2' HG22 ' A' ' 527' ' ' VAL . 88.7 t80 -124.16 100.35 6.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.079 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -105.79 142.04 36.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.907 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -154.33 149.67 27.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.943 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -103.46 139.47 38.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.956 0.408 . . . . 0.0 110.247 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -72.03 -22.74 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.323 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 32.3 m -77.55 -10.54 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.628 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 6.7 p -90.73 5.38 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.422 HD11 HD13 ' A' ' 547' ' ' LEU . 65.0 mt -79.07 149.21 32.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.5 m-20 -92.62 142.29 27.54 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.837 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -40.64 -54.8 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -66.36 -22.97 66.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.583 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 551' ' ' ASP . 66.8 m -86.71 -22.96 25.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 551' ' ' ASP . 54.6 t -71.53 -39.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.295 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ARG . . . . . 0.52 ' NH2' ' OE1' ' A' ' 559' ' ' GLN . 6.2 mmp_? -63.99 -28.26 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -85.37 -27.19 26.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.033 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.593 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -70.92 -50.17 37.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.194 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.52 ' OE1' ' NH2' ' A' ' 556' ' ' ARG . 57.1 mt-30 -67.25 -28.1 67.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.0 t -65.18 -48.75 72.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -47.38 -57.08 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.975 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.1 -34.89 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.551 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 564' ' ' THR . 51.0 mm-40 -77.82 44.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.703 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 564' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 563' ' ' GLU . 49.4 p -49.47 -179.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 93.1 p -165.7 -155.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -162.86 104.14 0.23 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 59.2 p -77.94 113.64 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.583 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 876' ' ' THR . . . . . 0.475 ' C ' ' H ' ' B' ' 878' ' ' LYS . 77.2 p . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.4 38.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.693 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' B' ' 876' ' ' THR . 27.0 mtmm -149.48 142.06 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.134 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.464 HD22 ' CG ' ' A' ' 511' ' ' HIS . 5.9 mt -133.59 88.05 35.08 Favored Pre-proline 0 C--N 1.33 -0.24 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.02 131.33 10.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 121.183 1.256 . . . . 0.0 111.467 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 70.1 t -126.08 114.01 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.7 p -93.69 129.17 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.74 113.39 28.7 Favored Pre-proline 0 N--CA 1.47 0.539 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.71 123.12 3.67 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.548 1.499 . . . . 0.0 111.708 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.43 -14.05 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.69 -23.39 49.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 19.8 m -84.52 -18.18 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.403 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.34 -170.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.164 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.0 t -140.65 118.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.078 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 890' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 890' ' ' LEU . 3.9 mm? -91.88 120.28 68.01 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.241 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.12 91.24 1.21 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.995 1.796 . . . . 0.0 112.043 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 22.8 t -160.8 48.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.658 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -79.43 -86.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -85.41 67.47 10.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 895' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 895' ' ' GLU . 1.2 pp20? -58.19 148.35 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -73.35 -61.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -165.88 143.95 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -74.62 -68.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 60.9 m 55.18 70.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.527 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -76.83 -9.08 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.1 66.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -45.29 -61.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.2 mp -44.5 -50.05 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.94 -43.89 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.39 -24.42 63.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.1 -44.96 13.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.98 -56.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.81 -53.01 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.974 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.94 -53.31 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.499 ' CG ' HD22 ' B' ' 879' ' ' LEU . 83.4 t60 -49.71 -56.77 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.311 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -51.84 -55.32 20.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.557 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.06 -38.23 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.3 -46.46 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 8.5 ttt -51.39 -39.44 57.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.401 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.6 p -90.16 -22.85 21.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 52.2 tp -53.62 136.34 39.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.454 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -136.29 3.93 2.88 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -72.45 84.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -42.17 -29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' HIS . . . . . 0.427 ' HD1' ' C ' ' A' ' 521' ' ' HIS . 2.0 t-80 -53.7 -44.27 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 522' ' ' ILE . 1.5 mp -80.47 -50.51 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 527' ' ' VAL . 14.7 mt -45.99 -28.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.3 -43.05 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.719 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.92 -53.02 56.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 529' ' ' LEU . 71.4 mt -56.55 -59.93 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 523' ' ' LEU . 54.2 t -41.65 -58.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.739 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.94 -22.18 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -68.82 -61.33 1.85 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.334 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 531' ' ' GLU . 2.5 pp -67.95 -48.45 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.696 ' N ' HD12 ' A' ' 530' ' ' ILE . 13.2 tm-20 -40.39 -43.33 1.76 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.109 0.481 . . . . 0.0 109.806 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -62.11 -42.38 99.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.959 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 530' ' ' ILE . 57.2 p -69.94 -53.26 18.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.66 -154.68 19.76 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 6.5 m80 61.68 58.59 1.98 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.441 -0.379 . . . . 0.0 111.465 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 31.0 p90 -148.34 157.68 43.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 109.905 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.6 93.58 2.98 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.081 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.425 ' CD1' HD22 ' B' ' 890' ' ' LEU . 97.2 mt -93.28 130.13 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 12.1 t -148.48 170.2 18.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 m120 41.93 -99.84 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.111 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 52.3 p -152.04 75.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.112 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' THR . . . . . 0.415 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -174.51 163.93 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.759 179.695 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 543' ' ' PHE . . . . . 0.469 ' CE2' HG22 ' A' ' 527' ' ' VAL . 16.8 t80 -125.13 103.65 8.1 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.04 142.11 35.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.833 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' PHE . . . . . 0.436 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 16.8 p90 -154.58 151.23 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.855 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 546' ' ' ASP . 6.2 p-10 -101.16 143.91 30.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.3 mm? -77.86 -11.36 59.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.323 . . . . 0.0 110.573 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 7.2 t -87.42 -9.41 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.98 2.83 50.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.041 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 547' ' ' LEU . 17.3 mt -84.57 156.76 21.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.327 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 552' ' ' LYS . 28.0 t0 -103.73 154.82 19.13 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 551' ' ' ASP . 46.9 mtpt -55.41 -33.79 63.82 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.535 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 553' ' ' THR . . . . . 0.407 HG22 ' NZ ' ' A' ' 557' ' ' LYS . 6.4 m -78.89 -27.67 43.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.975 0.417 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.1 m -87.33 -24.51 24.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.682 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 551' ' ' ASP . 25.2 t -69.93 -31.07 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' A' ' 559' ' ' GLN . 17.9 mmt-85 -71.5 -30.41 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.407 ' NZ ' HG22 ' A' ' 553' ' ' THR . 42.8 mttp -84.06 -26.25 29.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.353 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.9 mt -79.74 -48.44 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.963 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 556' ' ' ARG . 87.4 mt-30 -61.57 -29.39 69.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 562' ' ' LEU . 37.4 t -65.32 -50.63 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.351 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -46.21 -18.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.801 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 560' ' ' SER . 8.6 mt -82.45 -58.04 3.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -13.95 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 565' ' ' SER . 3.7 m 44.32 45.23 7.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 564' ' ' THR . 20.5 p 52.04 173.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.482 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 177.25 73.44 0.06 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 43.6 p 46.21 32.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.571 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 876' ' ' THR . . . . . . . . . . . . . 83.9 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -78.72 38.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.405 ' HB2' ' HZ3' ' B' ' 878' ' ' LYS . 21.8 mtmm -139.42 178.87 6.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.835 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.499 HD22 ' CG ' ' A' ' 511' ' ' HIS . 9.6 mt -138.54 87.81 14.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.95 131.02 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 121.191 1.26 . . . . 0.0 111.436 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.4 t -130.37 110.82 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.8 m -94.92 130.68 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.118 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 883' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 883' ' ' ILE . 13.8 mt -122.19 113.22 31.19 Favored Pre-proline 0 N--CA 1.469 0.521 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.53 132.61 7.27 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.62 1.546 . . . . 0.0 112.134 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 885' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 542' ' ' THR . 26.1 mt -63.77 -13.32 42.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.1 -27.44 54.11 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 53.1 m -84.59 -12.69 53.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.485 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.94 -171.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.392 . . . . 0.0 110.074 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.52 124.42 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 890' ' ' LEU . . . . . 0.425 HD22 ' CD1' ' A' ' 538' ' ' ILE . 65.1 mt -79.97 148.67 68.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.902 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.7 96.04 0.98 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.193 1.929 . . . . 0.0 111.749 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 75.2 m -47.69 -88.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.71 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 893' ' ' ARG . . . . . 0.532 ' CD ' ' N ' ' B' ' 893' ' ' ARG . 0.7 OUTLIER 48.48 70.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.355 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -162.93 57.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.71 161.2 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -171.83 -130.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -160.32 96.56 1.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.836 0.35 . . . . 0.0 110.53 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -73.69 95.8 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 85.6 p 45.93 77.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.555 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -79.06 -17.64 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.636 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.427 ' O ' ' OE2' ' A' ' 506' ' ' GLU . . . -55.43 -57.63 11.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.604 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -44.86 -61.49 1.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 6.7 tp -44.92 -43.1 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.51 -48.29 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 506' ' ' GLU . 0.3 OUTLIER -54.73 -25.59 28.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.095 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.17 -44.92 14.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.77 -62.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.33 -57.63 3.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.27 -53.39 58.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.562 ' CG ' HD22 ' B' ' 879' ' ' LEU . 52.5 t-80 -47.88 -62.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -49.02 -50.49 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -63.67 -36.59 84.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' LEU . . . . . 0.479 ' O ' HD23 ' A' ' 514' ' ' LEU . 1.2 tt -60.63 -45.09 95.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.6 tpt -54.17 -38.71 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.5 p -90.68 -24.7 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 35.4 tp -51.24 117.1 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.587 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.1 tpt180 -110.04 -16.11 13.89 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -54.7 82.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mtm105 -50.09 -25.09 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.721 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.34 -30.43 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 18.3 mm -88.18 -50.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 111.356 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 527' ' ' VAL . 10.2 mp -46.83 -27.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.483 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -73.74 -46.46 45.77 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.124 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -63.73 -51.73 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 558' ' ' LEU . 90.7 mt -57.19 -60.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 523' ' ' LEU . 56.1 t -41.78 -61.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -56.79 -23.82 46.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.297 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -70.2 -62.23 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.49 -179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.614 HD12 ' N ' ' A' ' 531' ' ' GLU . 1.9 pp -67.35 -43.82 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 0.0 110.523 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.614 ' N ' HD12 ' A' ' 530' ' ' ILE . 48.8 tp10 -43.06 -47.32 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.72 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -60.03 -28.78 68.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.238 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 530' ' ' ILE . 4.0 m -69.76 -50.54 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 117.55 -13.44 13.43 Favored Glycine 0 N--CA 1.468 0.789 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -73.92 59.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.295 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' PHE . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 531' ' ' GLU . 26.6 p90 -145.91 156.24 43.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.751 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.458 ' O ' ' CG ' ' A' ' 537' ' ' HIS . 20.3 p-80 -138.59 94.04 2.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.99 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.1 138.0 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.42 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 541' ' ' THR . 44.1 p -145.61 158.34 43.86 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 44.16 -97.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 539' ' ' THR . 18.5 p -151.45 76.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' THR . . . . . 0.441 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.0 165.67 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 543' ' ' PHE . . . . . 0.55 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 67.4 t80 -124.18 104.07 8.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.19 143.88 41.24 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' PHE . . . . . 0.55 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 10.1 p90 -154.58 152.15 29.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.994 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -102.82 145.12 30.25 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.91 -12.9 59.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 9.3 t -84.35 -16.52 42.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.598 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 7.9 t -88.07 11.02 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.45 HD11 HD13 ' A' ' 547' ' ' LEU . 57.9 mt -86.15 148.18 25.8 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.643 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.5 m-20 -93.08 136.77 33.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.963 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -40.46 -51.57 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.5 m -66.62 -25.4 66.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 551' ' ' ASP . 94.2 m -87.16 -20.02 27.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 551' ' ' ASP . 72.5 t -76.23 -29.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -73.02 -27.21 61.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -85.2 -23.92 28.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.112 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.457 HD22 HG23 ' A' ' 526' ' ' ILE . 45.7 mt -81.49 -66.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 563' ' ' GLU . 60.6 mt-30 -43.89 -29.67 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.8 m -63.25 -43.86 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.559 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -53.15 -24.25 10.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.023 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.85 -19.5 12.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.219 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 559' ' ' GLN . 45.1 tt0 46.27 46.16 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.482 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 564' ' ' THR . 1.6 t -57.6 149.54 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.463 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 91.5 p 47.84 -135.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 79.53 37.83 22.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 43.8 p -59.95 123.17 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.575 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 876' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 38.34 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.421 ' NZ ' ' CB ' ' B' ' 878' ' ' LYS . 9.3 mtmp? -84.04 -161.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.098 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.562 HD22 ' CG ' ' A' ' 511' ' ' HIS . 18.8 mt -144.89 87.74 7.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.463 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.87 139.53 13.9 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 121.651 1.567 . . . . 0.0 112.133 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 881' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 882' ' ' SER . 95.3 t -125.37 163.98 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.154 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 882' ' ' SER . . . . . 0.591 ' N ' HG12 ' B' ' 881' ' ' VAL . 4.2 m -149.43 129.13 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.366 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 47.6 mt -134.55 135.23 23.27 Favored Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.54 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.98 133.54 25.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.387 1.391 . . . . 0.0 111.071 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 885' ' ' LEU . . . . . 0.441 HD21 ' C ' ' A' ' 542' ' ' THR . 30.2 mt -60.7 -13.31 14.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.492 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.08 -24.95 51.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.229 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 22.9 p -87.05 -12.52 47.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.4 m -140.06 -169.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.107 0.48 . . . . 0.0 109.846 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.9 108.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.585 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 890' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 891' ' ' PRO . 4.4 mm? -91.09 113.74 59.23 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.079 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 891' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 890' ' ' LEU . 77.8 Cg_exo -41.81 167.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.723 1.615 . . . . 0.0 111.881 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 6.4 t -160.1 -64.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 893' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 894' ' ' ALA . 17.0 mmm180 -79.76 8.21 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 894' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' B' ' 893' ' ' ARG . . . 54.48 107.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 895' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' B' ' 895' ' ' GLU . 3.9 mp0 -60.18 -11.47 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -74.32 128.53 35.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 897' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' B' ' 899' ' ' SER . . . 53.99 44.92 28.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 898' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' B' ' 899' ' ' SER . 40.4 ptt85 -76.67 15.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 899' ' ' SER . . . . . 0.42 ' O ' ' O ' ' B' ' 898' ' ' ARG . 12.8 m 58.39 117.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 900' ' ' THR . . . . . 0.412 ' O ' ' O ' ' B' ' 899' ' ' SER . 40.6 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 8.3 mtmp? -80.09 -7.84 59.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -75.76 -40.38 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -45.07 -61.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.0 mp -44.08 -51.29 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.48 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 505' ' ' ASP . 0.8 OUTLIER -48.31 -44.02 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.692 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.02 -26.19 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.9 mt -83.73 -44.96 13.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.72 -55.85 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -55.37 -52.01 64.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.141 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.88 -53.65 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.421 ' CG ' HD22 ' B' ' 879' ' ' LEU . 83.4 t60 -51.25 -56.71 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.697 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -51.45 -55.21 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.561 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -58.95 -40.67 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.005 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.32 -45.67 92.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.737 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 7.9 ttt -51.55 -39.27 57.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.681 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 59.5 p -91.99 -23.1 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 43.5 tp -52.72 129.03 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.756 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -136.56 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.008 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -141.01 88.83 2.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -45.24 -23.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.222 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -63.2 -40.0 96.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.995 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 526' ' ' ILE . 17.7 mm -87.1 -53.93 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 527' ' ' VAL . 10.1 mp -44.9 -20.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.223 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 522' ' ' ILE . 5.3 tp-100 -81.81 -41.58 20.89 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.942 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.82 -51.43 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 526' ' ' ILE . 1.8 mp -57.33 -59.42 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 523' ' ' LEU . 76.4 t -42.78 -59.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.39 -25.11 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.3 OUTLIER -68.04 -59.99 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.763 0.316 . . . . 0.0 110.814 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 531' ' ' GLU . 2.0 pp -70.17 -45.14 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.605 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.521 ' OE1' ' CE2' ' A' ' 536' ' ' PHE . 50.0 mm-40 -44.38 -45.99 9.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.824 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.66 -37.07 86.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.8 m -69.13 -52.19 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.546 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 109.09 107.91 3.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 2.9 m-70 163.64 63.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' PHE . . . . . 0.521 ' CE2' ' OE1' ' A' ' 531' ' ' GLU . 30.7 p90 -153.64 160.97 42.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.206 0.527 . . . . 0.0 110.859 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -130.42 93.86 3.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.069 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.414 ' CD1' HD22 ' B' ' 890' ' ' LEU . 81.5 mt -93.38 131.75 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 541' ' ' THR . 6.1 p -146.63 165.75 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 42.25 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.99 0.424 . . . . 0.0 110.286 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 539' ' ' THR . 46.6 p -151.76 76.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.301 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' THR . . . . . 0.456 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.75 166.35 4.47 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.002 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -125.73 100.82 6.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.809 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 545' ' ' PHE . 36.8 t0 -104.01 142.24 34.78 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 545' ' ' PHE . . . . . 0.488 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 16.0 p90 -155.14 152.35 29.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.048 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -101.6 142.7 32.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.6 mm? -77.81 -11.65 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.6 t -88.6 -12.15 43.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 17.2 t -87.48 7.41 29.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.438 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.45 168.01 17.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.541 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.9 m-20 -118.4 137.54 53.06 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.459 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.8 OUTLIER -39.72 -46.08 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.3 m -69.23 -30.67 68.87 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.63 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 551' ' ' ASP . 7.5 m -85.07 -22.52 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.471 ' CG1' ' OE1' ' A' ' 559' ' ' GLN . 53.5 t -69.07 -30.11 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.019 0.437 . . . . 0.0 109.931 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ARG . . . . . 0.462 ' CA ' ' HE ' ' A' ' 556' ' ' ARG . 0.0 OUTLIER -72.36 -37.39 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -77.32 -23.01 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 110.231 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.18 -60.76 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.471 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 20.8 mt-30 -50.23 -27.77 6.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.366 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 29.9 t -66.06 -52.39 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -49.88 -38.47 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.335 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.0 -18.63 64.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -158.04 78.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 58.4 p -67.32 159.8 28.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 80.1 p -68.93 -170.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.607 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 568' ' ' SER . . . 79.08 33.67 35.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 7.0 m 60.71 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.566 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 566' ' ' GLY . 42.6 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 876' ' ' THR . . . . . 0.458 ' C ' ' H ' ' B' ' 878' ' ' LYS . 21.9 p . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -74.59 38.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.675 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' B' ' 876' ' ' THR . 35.2 mmtt -137.8 140.7 40.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.852 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.421 HD22 ' CG ' ' A' ' 511' ' ' HIS . 7.1 mt -133.58 88.01 35.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.71 132.91 11.14 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 121.231 1.287 . . . . 0.0 111.443 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.91 109.67 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.7 m -91.97 133.25 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 883' ' ' ILE . . . . . 0.414 HG21 HD13 ' B' ' 883' ' ' ILE . 10.5 mt -125.4 113.08 25.72 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.34 133.66 6.68 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.636 1.557 . . . . 0.0 112.082 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 885' ' ' LEU . . . . . 0.456 HD21 ' C ' ' A' ' 542' ' ' THR . 28.3 mt -64.96 -13.8 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.776 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -75.2 -26.32 58.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.802 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 5.9 p -86.63 -10.4 53.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.72 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.61 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 121.127 0.489 . . . . 0.0 110.135 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.9 t -140.58 119.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.212 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 890' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 538' ' ' ILE . 66.6 mt -75.11 149.46 84.96 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.073 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.46 126.01 9.4 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.171 1.914 . . . . 0.0 111.737 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 21.2 p -65.54 143.13 57.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -72.72 66.69 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.486 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -59.73 116.96 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -76.97 130.8 37.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -174.28 -170.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 57.07 14.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -47.86 106.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 44.2 t -74.48 134.84 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 900' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 900' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.555 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 11.9 t0 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -65.33 -4.83 5.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -68.6 -48.2 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -45.48 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.2 mp -43.96 -49.76 8.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.867 0.365 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.43 -48.15 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.03 -24.61 17.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.41 -44.57 12.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.418 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.55 -58.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.97 -52.25 35.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.47 -52.1 65.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.472 ' CG ' HD22 ' B' ' 879' ' ' LEU . 50.8 t-80 -48.52 -56.75 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.424 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.14 -53.34 51.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.683 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -57.12 -48.08 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.9 -41.02 86.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.679 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.4 tpt -55.68 -37.79 68.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.262 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.9 t -103.83 16.94 25.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 45.2 tp -92.99 117.0 29.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.855 0.359 . . . . 0.0 110.767 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.01 7.67 19.91 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.53 96.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.505 ' NH1' ' O ' ' B' ' 887' ' ' SER . 40.7 mtp85 -58.15 -23.51 55.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.247 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.22 -40.19 96.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.335 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.12 -49.71 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 120.55 0.214 . . . . 0.0 110.6 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 527' ' ' VAL . 8.5 mp -45.55 -31.71 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.327 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.2 -40.67 59.06 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.732 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -66.57 -54.7 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 558' ' ' LEU . 86.8 mt -54.66 -59.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 523' ' ' LEU . 64.5 t -41.65 -63.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.635 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -53.52 -20.46 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.531 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.3 OUTLIER -73.76 -65.26 0.85 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.489 ' C ' HD12 ' A' ' 530' ' ' ILE . 1.4 pp -66.14 -16.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.886 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -73.71 -48.88 28.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.84 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.53 -12.97 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.338 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 12.7 m -83.37 -47.82 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 108.54 -1.12 32.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.486 ' CE1' ' OG ' ' A' ' 549' ' ' SER . 3.2 t-160 -88.56 62.54 6.59 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 122.768 -0.254 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 28.3 p90 -144.24 157.62 44.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.21 0.528 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -131.65 94.16 3.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.825 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.82 135.3 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 541' ' ' THR . 11.8 t -151.59 160.87 43.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.782 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 27.0 t30 44.26 -97.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.294 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.7 77.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.227 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' THR . . . . . 0.471 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.09 159.62 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 543' ' ' PHE . . . . . 0.505 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 57.3 t80 -121.29 100.54 7.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.45 142.65 34.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.197 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 36.5 p90 -157.55 162.03 38.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.674 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -111.26 149.45 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.57 -30.47 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.977 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.31 -6.04 43.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.729 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' SER . . . . . 0.486 ' OG ' ' CE1' ' A' ' 535' ' ' HIS . 36.4 m -90.91 4.86 50.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.93 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 29.3 mt -86.3 144.79 27.21 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 554' ' ' THR . 7.8 m-20 -88.68 144.56 26.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.468 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 12.6 mptt -41.56 -54.7 3.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.757 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.7 m -66.24 -22.65 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.441 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 551' ' ' ASP . 61.1 m -85.98 -25.98 25.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.528 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.4 t -64.7 -35.71 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -62.75 -43.92 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.556 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 557' ' ' LYS . 0.5 OUTLIER -72.86 -28.91 62.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.096 0.474 . . . . 0.0 110.191 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -68.4 -54.35 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.372 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.44 ' NE2' ' CG1' ' A' ' 555' ' ' VAL . 70.7 mt-30 -65.79 -27.04 67.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 562' ' ' LEU . 15.1 t -67.24 -48.0 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.937 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 557' ' ' LYS . 29.7 m-85 -47.84 -16.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.009 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 560' ' ' SER . 13.9 mt -81.28 -60.64 2.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.863 0.363 . . . . 0.0 110.702 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.44 48.01 1.58 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.753 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 14.3 p -53.16 153.05 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.528 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 85.6 p -72.11 -151.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -173.59 -59.28 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 57.9 p -47.82 -37.83 14.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.665 0.269 . . . . 0.0 110.527 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.51 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 876' ' ' THR . . . . . 0.484 ' C ' ' H ' ' B' ' 878' ' ' LYS . 7.8 m . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -73.16 38.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' B' ' 876' ' ' THR . 33.5 mttp -148.75 162.42 39.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.658 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' A' ' 511' ' ' HIS . 16.2 mt -144.42 92.24 6.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.67 145.13 16.05 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.462 1.441 . . . . 0.0 112.494 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.61 107.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 74.0 p -95.63 127.74 41.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 883' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 883' ' ' ILE . 15.2 mt -124.36 112.97 27.79 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.81 124.56 4.62 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.616 1.544 . . . . 0.0 111.921 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 885' ' ' LEU . . . . . 0.471 HD21 ' C ' ' A' ' 542' ' ' THR . 34.1 mt -55.69 -12.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.87 -22.55 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 887' ' ' SER . . . . . 0.505 ' O ' ' NH1' ' A' ' 520' ' ' ARG . 45.1 t -86.93 -18.96 29.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.43 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.6 m -134.87 -170.69 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.045 0.45 . . . . 0.0 110.208 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.1 t -140.76 108.29 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.64 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 890' ' ' LEU . . . . . 0.422 ' N ' HD22 ' B' ' 890' ' ' LEU . 4.0 mm? -90.38 130.74 40.61 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.089 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.88 178.26 7.84 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.92 1.747 . . . . 0.0 111.676 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 32.6 t 56.5 173.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -171.3 87.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.579 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . 53.18 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -80.65 7.53 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -50.82 141.25 13.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.682 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 49.98 99.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -61.13 -38.81 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 37.6 m -55.6 -71.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.542 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.518 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -76.61 -5.8 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.81 -43.0 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -44.5 -56.48 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -46.08 -47.29 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.299 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -50.04 -40.01 43.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.78 -25.23 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.85 -46.07 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.16 -57.34 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -47.02 -53.59 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.229 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.75 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.522 ' CG ' HD22 ' B' ' 879' ' ' LEU . 65.0 t60 -50.76 -55.65 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.152 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -57.27 -55.63 32.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.39 -52.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.611 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.55 -36.12 63.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 9.1 tpt -58.8 -37.75 77.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.554 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 518' ' ' ARG . 22.8 p -106.9 17.02 23.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.548 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 28.2 tp -93.5 119.38 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.7 mpt_? -101.41 -25.59 13.88 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.013 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -50.16 86.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 518' ' ' ARG . 4.9 ptp85 -52.55 -38.08 59.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.367 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -43.77 -31.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.1 mm -87.05 -55.74 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 111.167 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 527' ' ' VAL . 9.9 mp -47.69 -27.87 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.785 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -76.46 -42.48 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -65.56 -48.59 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.612 HG23 HD21 ' A' ' 558' ' ' LEU . 97.0 mt -61.85 -57.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.617 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 523' ' ' LEU . 41.4 t -42.76 -63.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.91 0.386 . . . . 0.0 110.59 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -52.29 -27.1 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.724 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.476 HD13 ' C ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -71.98 -63.34 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.312 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 530' ' ' ILE . . . . . . . . . . . . . 13.4 pt -65.99 -14.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.829 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -73.32 -47.56 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.303 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 532' ' ' GLU . 0.4 OUTLIER -59.31 -22.93 61.97 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 36.2 p -75.79 -47.91 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.26 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 107.19 2.49 35.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.24 57.52 4.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.467 0.175 . . . . 0.0 111.018 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -146.86 160.1 42.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.934 0.397 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -136.77 105.64 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.9 134.08 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 541' ' ' THR . 2.3 t -147.03 163.69 35.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.716 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 24.0 m120 42.1 -98.14 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 539' ' ' THR . 44.5 p -151.96 76.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.26 165.6 4.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.555 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' PHE . . . . . 0.447 ' CE2' HG22 ' A' ' 527' ' ' VAL . 84.0 t80 -122.57 99.95 6.67 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.766 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.57 141.13 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.672 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -154.76 150.0 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 549' ' ' SER . 17.3 m-20 -96.99 150.33 20.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.4 mm? -82.14 -41.62 20.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.238 0.542 . . . . 0.0 109.734 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 30.4 t -62.91 -2.6 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.792 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 546' ' ' ASP . 83.9 p -92.83 6.55 47.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.86 137.96 33.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 554' ' ' THR . 8.1 m-20 -82.4 145.56 29.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.435 ' H ' ' HE2' ' A' ' 552' ' ' LYS . 1.5 mppt? -40.07 -54.88 2.19 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 17.1 m -65.44 -25.61 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 551' ' ' ASP . 69.4 m -84.11 -24.83 30.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 53.9 t -65.09 -41.49 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -64.1 -33.14 75.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.13 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -79.99 -25.15 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.217 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.612 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -74.78 -54.41 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -179.713 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -63.33 -24.89 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.927 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 562' ' ' LEU . 40.9 t -66.23 -49.45 67.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.736 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -50.18 -9.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.12 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 560' ' ' SER . 42.7 mt -81.05 -59.28 2.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.178 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -73.15 -2.44 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 566' ' ' GLY . 71.5 p 50.85 93.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 45.3 t -76.19 27.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 564' ' ' THR . . . 59.53 154.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.7 t -50.69 -12.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 568' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 566' ' ' GLY . 32.0 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 876' ' ' THR . . . . . 0.474 ' N ' HD21 ' A' ' 504' ' ' LEU . 37.7 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 877' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' B' ' 878' ' ' LYS . 20.7 m120 -77.36 29.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.651 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' B' ' 876' ' ' THR . 26.8 mmtp 57.44 148.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.874 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 511' ' ' HIS . 12.4 mt -142.74 87.84 8.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.193 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.04 114.4 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 121.491 1.461 . . . . 0.0 111.915 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.0 t -105.88 121.4 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.3 m -96.76 130.24 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.502 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 95.4 mt -125.79 110.78 25.06 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.64 121.6 4.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 121.584 1.522 . . . . 0.0 111.735 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 19.4 mt -55.23 -13.79 1.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -74.62 -25.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.973 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 67.3 m -86.45 -20.68 27.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 13.9 m -128.97 -173.93 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.264 0.554 . . . . 0.0 110.87 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.26 113.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.756 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 890' ' ' LEU . . . . . 0.508 HD22 ' N ' ' B' ' 890' ' ' LEU . 4.2 mm? -88.2 124.47 66.49 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -39.55 106.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.895 1.73 . . . . 0.0 112.597 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 26.6 m -86.04 164.06 17.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.227 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -44.58 -26.4 0.36 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -75.99 154.12 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -46.34 152.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -60.5 -175.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 54.12 -98.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -77.98 157.27 29.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 20.7 m -165.44 17.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.544 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.43 -9.26 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -80.69 -38.06 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -45.7 -61.7 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.178 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -43.96 -50.48 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.637 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -48.74 -49.45 38.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.654 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.47 -22.85 3.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.2 -41.65 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.05 -62.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.34 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -48.06 -54.13 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.087 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 510' ' ' LEU . 3.7 mm? -58.16 -52.87 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.89 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.531 ' CG ' HD22 ' B' ' 879' ' ' LEU . 77.2 t60 -46.89 -58.82 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.31 -52.15 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 7.6 tpt85 -48.63 -55.66 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.93 -41.31 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 20.0 ttt -51.89 -40.5 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.812 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.8 p -94.89 -19.83 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.617 0.246 . . . . 0.0 110.653 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.07 117.3 4.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.969 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -102.96 -11.78 17.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.238 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.22 101.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -65.68 -29.86 70.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -45.19 -34.55 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.0 mm -86.75 -50.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' ' 527' ' ' VAL . 52.4 mt -48.47 -25.55 1.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -73.19 -45.93 53.53 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.67 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -64.7 -53.58 45.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.599 HG23 HD21 ' A' ' 558' ' ' LEU . 97.6 mt -54.64 -60.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 523' ' ' LEU . 50.1 t -41.45 -62.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -58.08 -21.56 46.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.635 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -69.23 -60.47 2.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.928 -179.457 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 533' ' ' THR . 38.2 pt -68.48 -39.42 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.333 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.434 ' N ' HG13 ' A' ' 530' ' ' ILE . 38.7 tt0 -44.6 -46.16 9.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.411 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.88 -27.95 67.13 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 530' ' ' ILE . 5.3 m -69.83 -49.19 55.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 112.7 -11.76 25.38 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.68 71.05 9.77 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.154 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 24.8 p90 -156.3 164.94 37.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.29 0.567 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -144.11 99.29 3.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.862 179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 542' ' ' THR . 5.5 mt -82.82 121.42 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.477 ' CG2' ' OG1' ' A' ' 542' ' ' THR . 10.0 t -82.95 -161.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.427 ' N ' ' OG1' ' A' ' 539' ' ' THR . 44.3 t-20 -42.91 -69.2 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 8.8 m -141.19 75.94 1.52 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 110.169 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -174.06 160.12 3.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.137 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 543' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 527' ' ' VAL . 89.2 t80 -121.74 104.05 9.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.7 OUTLIER -108.19 140.93 40.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.959 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 545' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 545' ' ' PHE . 13.5 p90 -153.68 153.08 31.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.826 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 549' ' ' SER . 10.2 p-10 -102.31 146.6 27.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.1 mm? -79.42 -11.53 59.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.368 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 6.2 t -86.13 -7.58 58.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.725 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' SER . . . . . 0.449 ' N ' ' OD2' ' A' ' 546' ' ' ASP . 4.7 p -91.07 6.01 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.401 HD11 HD13 ' A' ' 547' ' ' LEU . 28.3 mt -83.32 131.17 35.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.441 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 555' ' ' VAL . 18.5 t70 -76.48 155.08 34.13 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -47.92 -54.99 10.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.816 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 71.0 m -66.16 -22.4 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 51.4 m -84.79 -27.73 26.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.687 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 36.1 t -64.79 -39.45 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ARG . . . . . 0.402 ' NH1' ' OE1' ' A' ' 559' ' ' GLN . 26.6 mmt-85 -67.08 -31.85 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.87 -24.22 38.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.182 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.599 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -75.03 -51.59 13.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.295 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.402 ' OE1' ' NH1' ' A' ' 556' ' ' ARG . 77.5 mt-30 -66.04 -25.27 66.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.274 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 563' ' ' GLU . 63.7 p -64.53 -49.3 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.497 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -48.58 -28.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.081 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.54 -12.52 27.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 560' ' ' SER . 36.3 mt-10 -150.46 59.66 0.95 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 28.2 p -61.89 126.82 28.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 67.6 p -79.22 150.6 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 568' ' ' SER . . . -170.49 90.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 82.8 p -59.74 -5.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 568' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 566' ' ' GLY . 8.3 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 876' ' ' THR . . . . . 0.476 ' C ' ' H ' ' B' ' 878' ' ' LYS . 60.5 p . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -73.82 38.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.408 . . . . 0.0 110.442 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' B' ' 876' ' ' THR . 73.1 tttt -169.67 146.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.17 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 511' ' ' HIS . 7.1 mt -136.87 87.97 19.0 Favored Pre-proline 0 C--N 1.33 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.46 131.59 11.68 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 121.111 1.207 . . . . 0.0 111.511 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.47 107.28 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 82.8 p -89.82 127.93 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.22 114.21 27.71 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -43.06 129.07 5.67 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.822 1.681 . . . . 0.0 112.285 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 885' ' ' LEU . . . . . 0.463 HD21 ' C ' ' A' ' 542' ' ' THR . 31.9 mt -62.02 -13.39 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.636 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.21 47.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 43.7 t -89.43 -13.7 37.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.47 -169.99 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 121.029 0.443 . . . . 0.0 110.18 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.74 146.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.921 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 890' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' B' ' 892' ' ' SER . 33.8 mt -108.49 101.58 43.49 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.234 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.79 78.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.175 1.916 . . . . 0.0 112.324 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 892' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 890' ' ' LEU . 4.3 t 178.25 13.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -51.81 -44.85 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.64 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -159.49 122.59 3.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 895' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' B' ' 895' ' ' GLU . 28.0 mp0 -75.43 -77.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -164.6 -58.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -160.3 81.1 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 898' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' B' ' 899' ' ' SER . 85.7 mtt180 55.58 67.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 899' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 898' ' ' ARG . 6.8 m 57.62 114.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 500' ' ' ASP . 2.5 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -77.97 -8.63 58.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -53.74 -60.19 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.41 -61.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.207 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.0 mp -44.21 -48.86 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -50.3 -42.28 52.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -61.7 -26.98 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.512 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.1 mt -84.73 -45.01 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.2 -62.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -49.39 -53.21 23.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.832 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.532 HD11 HD11 ' A' ' 562' ' ' LEU . 18.5 tp -56.54 -49.78 73.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.527 ' CG ' HD22 ' B' ' 879' ' ' LEU . 78.1 t60 -52.83 -55.16 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -49.97 -51.28 42.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' ARG . . . . . 0.643 ' NH2' ' H ' ' A' ' 565' ' ' SER . 59.9 ttt180 -61.11 -40.17 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.042 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.9 -43.94 97.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 0.0 110.599 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 11.9 tpt -53.66 -38.9 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.464 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.1 p -90.4 -22.42 21.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 44.7 tp -54.29 141.61 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -136.44 3.91 2.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.164 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' ' 523' ' ' LEU . 61.8 mt-10 -57.76 109.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.361 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -72.47 -23.37 61.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.717 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 521' ' ' HIS . 0.2 OUTLIER -77.48 -27.5 51.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 522' ' ' ILE . 1.3 mp -88.2 -51.99 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 527' ' ' VAL . 6.5 mp -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.923 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -79.49 -42.16 25.86 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.51 -52.94 48.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.447 HG23 HD22 ' A' ' 558' ' ' LEU . 75.3 mt -54.17 -58.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.63 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 523' ' ' LEU . 49.9 t -41.78 -58.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.698 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -61.55 -20.94 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.436 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -71.05 -62.67 1.31 Allowed 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.925 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 533' ' ' THR . 44.0 pt -66.69 -47.45 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.589 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.471 ' N ' HG13 ' A' ' 530' ' ' ILE . 28.0 tt0 -41.17 -42.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.04 -34.32 77.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 530' ' ' ILE . 30.6 p -69.49 -50.76 42.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 123.43 -16.48 8.0 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 549' ' ' SER . 13.3 m-70 -75.79 48.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.556 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -139.01 154.15 48.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.249 0.547 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -138.18 128.17 25.59 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.362 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 542' ' ' THR . 7.0 mt -110.09 121.43 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 62.6 p -85.56 -160.97 0.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -42.01 -68.72 0.17 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' THR . . . . . 0.41 ' C ' ' OG1' ' A' ' 542' ' ' THR . 34.5 p -144.1 75.87 1.48 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.075 0.464 . . . . 0.0 110.459 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.2 OUTLIER -173.79 165.19 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 543' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 530' ' ' ILE . 89.9 t80 -118.64 103.26 9.53 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.22 138.87 42.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.048 0.452 . . . . 0.0 111.116 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -154.12 137.04 15.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -91.55 143.82 26.19 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 547' ' ' LEU . 3.2 mm? -77.12 -20.58 55.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.547 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.94 -9.11 59.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' SER . . . . . 0.472 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 27.1 p -95.55 13.82 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.46 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 550' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 547' ' ' LEU . 76.7 mt -87.77 161.24 17.69 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 554' ' ' THR . 1.1 m-20 -104.26 140.4 37.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.659 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -40.17 -55.14 2.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.552 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.0 m -66.08 -24.95 66.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.822 0.344 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 551' ' ' ASP . 88.6 m -82.72 -29.14 30.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 551' ' ' ASP . 67.2 t -65.66 -38.51 82.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -73.03 -23.27 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -83.23 -25.26 31.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 526' ' ' ILE . 40.8 mt -80.98 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' GLN . . . . . 0.426 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 19.7 mt-30 -43.86 -28.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 562' ' ' LEU . 67.2 m -68.22 -51.82 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -45.95 -15.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.621 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.532 HD11 HD11 ' A' ' 510' ' ' LEU . 9.4 mt -90.65 -49.64 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 51.9 33.76 12.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 68.9 p 42.15 70.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' SER . . . . . 0.643 ' H ' ' NH2' ' A' ' 513' ' ' ARG . 28.8 t -69.7 68.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.664 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.36 174.55 47.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 567' ' ' THR . 1.8 t -64.09 141.76 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.563 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.573 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 876' ' ' THR . . . . . 0.474 ' C ' ' H ' ' B' ' 878' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -73.86 38.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.65 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' B' ' 876' ' ' THR . 0.1 OUTLIER -158.91 145.34 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.081 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 511' ' ' HIS . 11.3 mt -139.27 88.61 12.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -80.22 131.06 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 121.278 1.319 . . . . 0.0 111.307 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 881' ' ' VAL . . . . . 0.425 HG22 ' CE1' ' A' ' 511' ' ' HIS . 91.9 t -125.65 106.69 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 17.9 p -99.45 124.78 44.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.223 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.4 143.49 39.65 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.56 133.24 27.33 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.922 1.748 . . . . 0.0 112.163 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.3 -12.47 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.455 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -73.21 -24.19 60.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 38.0 t -86.03 -12.03 51.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.421 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.43 -175.58 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.137 0.494 . . . . 0.0 110.266 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 5.0 t -139.93 117.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.837 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 890' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 2.7 mm? -81.37 150.07 66.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 891' ' ' PRO . . . . . 0.422 ' CD ' ' OE1' ' A' ' 531' ' ' GLU . 74.1 Cg_endo -72.57 113.4 3.72 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.486 2.124 . . . . 0.0 112.109 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 26.9 t -69.25 127.19 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.369 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -67.38 -60.65 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -77.77 155.4 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -157.98 -32.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -170.92 -67.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -165.46 -169.07 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -169.82 144.7 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 8.3 t -162.57 -71.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 82.1 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.546 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -124.81 -20.68 4.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -45.58 -61.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.668 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -44.12 -50.9 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.558 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -47.74 -43.24 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.577 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.9 mt -81.69 -46.16 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.112 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 61.1 t -54.98 -58.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -44.6 -55.81 4.88 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.23 -54.84 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' HIS . . . . . 0.553 ' CG ' HD22 ' B' ' 879' ' ' LEU . 86.6 t60 -44.68 -64.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -49.85 -50.24 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.544 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' ARG . . . . . 0.526 HH12 ' CB ' ' A' ' 564' ' ' THR . 55.2 mtp180 -60.74 -39.81 90.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.16 -45.08 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.429 . . . . 0.0 110.579 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 515' ' ' MET . 13.5 tmm? -52.94 -38.82 62.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.367 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.5 p -89.89 -22.75 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 42.7 tp -55.33 140.47 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -136.1 3.12 2.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.31 104.82 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -60.17 -37.6 80.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -43.05 -34.0 0.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.874 0.369 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 15.4 mm -87.77 -54.27 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 527' ' ' VAL . 47.1 mt -48.84 -23.97 1.28 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -42.87 25.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.562 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -66.65 -51.48 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 529' ' ' LEU . 96.5 mt -58.59 -58.19 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 523' ' ' LEU . 43.1 t -42.3 -59.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.405 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.22 -23.67 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.164 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.2 OUTLIER -72.88 -64.01 1.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 531' ' ' GLU . 42.5 pt -65.79 -49.62 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.374 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 530' ' ' ILE . 25.5 tt0 -45.06 -41.56 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.257 0.551 . . . . 0.0 109.517 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.79 -41.43 95.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.062 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 82.1 p -68.84 -50.94 45.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.63 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' GLY . . . . . 0.564 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 114.57 105.86 2.63 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 1.5 m170 165.29 50.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -138.8 151.46 47.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.18 0.514 . . . . 0.0 110.778 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -128.32 94.1 3.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.526 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 65.9 mt -90.88 135.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 541' ' ' THR . 96.5 m -147.96 153.83 39.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.419 ' N ' HG22 ' A' ' 539' ' ' THR . 20.6 t-20 45.58 -93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.304 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.52 77.42 1.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.446 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' THR . . . . . 0.477 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.1 OUTLIER -173.17 162.29 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.768 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -122.12 100.5 7.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 109.993 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 544' ' ' ASP . 0.6 OUTLIER -101.77 138.93 38.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -153.9 136.44 15.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.65 133.72 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 110.242 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -69.53 -19.57 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.048 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 19.0 m -81.65 -9.38 59.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 85.0 p -90.99 10.7 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 61.6 mt -86.44 -175.31 5.42 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.6 m-20 -131.12 134.68 46.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.658 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.488 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.9 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -178.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -68.68 -29.46 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 551' ' ' ASP . 50.1 m -86.27 -23.34 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.5 t -70.55 -29.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.394 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 33.1 mmt-85 -74.66 -29.73 61.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -82.06 -23.7 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.402 HD22 HG23 ' A' ' 526' ' ' ILE . 48.7 mt -81.7 -64.85 1.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.641 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -43.85 -26.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' SER . . . . . 0.48 ' C ' ' N ' ' A' ' 562' ' ' LEU . 25.6 p -63.51 -48.25 78.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.751 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -48.97 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.477 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' LEU . . . . . 0.48 ' N ' ' C ' ' A' ' 560' ' ' SER . 27.2 mt -105.39 -34.48 7.82 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 58.82 88.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' THR . . . . . 0.526 ' CB ' HH12 ' A' ' 513' ' ' ARG . 10.6 t -148.72 141.49 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.474 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 11.9 t 58.25 55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -69.07 -80.98 0.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 50.7 p -62.25 148.76 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.52 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 876' ' ' THR . . . . . 0.435 ' C ' ' H ' ' B' ' 878' ' ' LYS . 52.6 m . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 877' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' B' ' 878' ' ' LYS . 17.5 t-20 -78.63 22.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.671 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 877' ' ' ASN . 93.4 mttt 56.57 149.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.969 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 879' ' ' LEU . . . . . 0.553 HD22 ' CG ' ' A' ' 511' ' ' HIS . 12.9 mt -137.99 86.99 16.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -80.8 128.56 6.74 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.472 1.448 . . . . 0.0 111.081 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.35 107.05 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 19.9 m -97.92 126.54 43.37 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.5 143.5 41.67 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.24 131.42 26.64 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.765 1.643 . . . . 0.0 111.582 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 885' ' ' LEU . . . . . 0.477 HD21 ' C ' ' A' ' 542' ' ' THR . 48.2 mt -60.59 -13.62 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.626 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.06 61.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.79 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 73.5 m -86.72 -12.73 47.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 888' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' B' ' 885' ' ' LEU . 7.4 m -139.82 -172.58 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.063 0.459 . . . . 0.0 110.158 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 16.5 t -140.72 130.28 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 72.9 mt -84.7 146.2 46.05 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.131 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.59 177.54 8.7 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.256 1.971 . . . . 0.0 111.898 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 14.3 m -78.95 147.8 32.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.339 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -172.95 143.93 1.23 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.43 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -159.77 -58.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.606 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 57.93 80.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 896' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 897' ' ' ALA . 38.2 ptt180 -66.23 -171.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 897' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' B' ' 896' ' ' ARG . . . 53.94 167.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -69.13 91.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 16.7 t -160.4 75.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.528 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 502' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -58.69 -5.85 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 500' ' ' ASP . . . -63.22 -48.26 79.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.702 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -44.82 -61.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.417 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -44.6 -47.87 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.648 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.04 -41.63 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.716 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' GLU . . . . . 0.426 ' O ' HD13 ' A' ' 510' ' ' LEU . 57.1 mt-10 -61.49 -25.21 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.728 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.0 mt -85.13 -43.0 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.56 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.28 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.963 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -49.08 -54.6 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.063 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 506' ' ' GLU . 4.6 mp -51.64 -47.27 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -59.36 -48.36 81.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.528 ' HE ' ' CA ' ' A' ' 512' ' ' ARG . 0.0 OUTLIER -53.32 -56.59 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.513 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -65.8 -35.5 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.519 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.94 -44.99 94.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.454 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 515' ' ' MET . 1.6 tmt? -53.9 -38.21 64.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.611 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 65.7 p -92.2 -23.5 19.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.657 0.265 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 519' ' ' GLU . 41.8 tp -53.51 125.12 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.332 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -24.26 12.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.819 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 519' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 521' ' ' HIS . 0.9 OUTLIER -39.66 100.69 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.593 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -72.76 -31.76 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.31 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' HIS . . . . . 0.545 ' N ' ' OE1' ' A' ' 519' ' ' GLU . 11.2 t-80 -57.14 -37.68 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 11.7 mm -80.17 -51.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 527' ' ' VAL . 6.2 mp -45.77 -27.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.661 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.71 -44.46 33.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.7 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -63.51 -50.82 68.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ILE . . . . . 0.49 HG23 HD21 ' A' ' 558' ' ' LEU . 96.7 mt -56.63 -59.65 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.738 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 527' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 523' ' ' LEU . 55.8 t -41.9 -61.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.713 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -52.69 -23.85 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.453 HD13 ' C ' ' A' ' 529' ' ' LEU . 0.3 OUTLIER -72.52 -63.04 1.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 530' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 531' ' ' GLU . 30.2 pt -67.38 -37.15 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.276 0.56 . . . . 0.0 110.25 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' GLU . . . . . 0.446 ' N ' HG13 ' A' ' 530' ' ' ILE . 14.8 tm-20 -54.21 -48.78 70.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.19 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.325 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 8.7 m -69.41 -51.37 37.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.325 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.41 -24.39 5.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -73.31 55.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -147.43 158.29 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.09 0.472 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -135.55 146.56 48.15 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.578 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 79.6 mt -138.71 133.58 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.465 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' THR . . . . . 0.495 HG23 HD21 ' A' ' 540' ' ' ASN . 0.7 OUTLIER -143.08 163.39 32.97 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.425 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.495 HD21 HG23 ' A' ' 539' ' ' THR . 1.3 p30 38.92 -95.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.635 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 539' ' ' THR . 43.9 p -151.54 77.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' THR . . . . . 0.454 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.1 OUTLIER -172.85 165.9 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.602 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -124.49 100.21 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.809 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -105.63 143.44 33.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 111.27 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.05 147.8 24.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.013 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.07 146.32 26.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -79.42 -13.6 59.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.063 0.459 . . . . 0.0 109.986 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 548' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 13.1 t -88.59 -13.84 39.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.648 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 5.0 t -89.86 11.88 18.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.373 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.02 141.35 34.47 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 554' ' ' THR . 28.6 m-20 -84.21 143.95 29.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.459 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 4.6 mptp? -40.3 -54.16 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.4 m -65.83 -26.6 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 551' ' ' ASP . 84.7 m -83.13 -22.01 33.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.562 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 551' ' ' ASP . 52.4 t -68.04 -44.3 84.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -65.94 -29.87 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.1 -30.52 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.971 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.49 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -69.06 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.169 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.66 -27.79 7.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.9 t -68.95 -55.63 10.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -45.93 -57.64 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.54 -49.5 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.72 -62.56 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 41.5 p -45.06 146.47 0.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.703 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 17.8 m 46.6 51.13 12.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.84 38.54 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 21.8 p -61.39 154.63 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.599 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 876' ' ' THR . . . . . 0.488 ' C ' ' H ' ' B' ' 878' ' ' LYS . 56.9 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -73.36 38.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 878' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' B' ' 876' ' ' THR . 22.6 mtpp -148.78 156.8 42.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.823 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.39 88.16 10.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.79 140.35 14.55 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 121.549 1.499 . . . . 0.0 113.175 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 47.1 t -134.38 106.34 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.958 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 18.0 p -92.14 130.07 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.78 113.83 28.52 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.8 130.83 7.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.621 1.547 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 885' ' ' LEU . . . . . 0.454 HD21 ' C ' ' A' ' 542' ' ' THR . 35.0 mt -60.17 -13.69 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.78 -23.29 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.738 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 29.1 t -87.26 -14.54 40.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.415 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.21 -170.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.03 0.443 . . . . 0.0 110.071 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 6.1 t -140.47 130.49 28.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.177 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 51.5 mt -87.8 112.65 50.25 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.477 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -42.85 114.36 0.42 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.824 1.682 . . . . 0.0 112.136 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 13.8 p -51.99 -17.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 69.5 mtm-85 -77.96 65.51 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -80.22 -85.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.514 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.61 -32.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 896' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 897' ' ' ALA . 42.1 ttp85 -47.7 136.65 10.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 897' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' B' ' 896' ' ' ARG . . . 48.38 -176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 74.9 mtm-85 48.18 80.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 68.8 m -63.68 94.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.58 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.835 0.35 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.16 32.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.681 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -45.56 -61.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 504' ' ' LEU . 9.7 mp -43.87 -51.95 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 0.0 110.444 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . 0.425 ' O ' ' OE1' ' A' ' 509' ' ' GLU . 20.4 t70 -46.87 -50.53 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.98 -24.53 6.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.5 mt -85.94 -43.61 13.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.29 -60.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' A' ' 509' ' ' GLU . 1.8 mp0 -49.93 -53.39 26.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.022 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.48 -51.49 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.464 ' CG ' HD22 ' B' ' 879' ' ' LEU . 81.0 t60 -51.76 -57.02 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.815 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.478 HH12 HG21 ' A' ' 516' ' ' THR . 25.9 tpt85 -53.2 -53.07 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.57 -45.87 84.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 34.4 tpp -55.66 -38.71 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.547 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.478 HG21 HH12 ' A' ' 512' ' ' ARG . 72.9 p -93.05 -24.24 18.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.03 137.18 33.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 520' ' ' ARG . 7.9 tpm_? -125.98 -18.88 4.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.232 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 519' ' ' GLU . 0.0 OUTLIER -46.66 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.041 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 518' ' ' ARG . 79.4 mtm180 -60.76 -23.79 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -61.64 -33.05 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.63 -50.74 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.394 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 527' ' ' VAL . 52.1 mt -47.43 -28.72 2.25 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.566 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -76.19 -41.5 49.38 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -65.94 -54.43 26.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.621 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.593 HG23 HD21 ' A' ' 558' ' ' LEU . 94.2 mt -54.76 -59.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.368 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 523' ' ' LEU . 54.0 t -42.57 -63.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.609 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -51.48 -24.51 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.315 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.437 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.3 OUTLIER -73.24 -63.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.445 ' O ' ' OG1' ' A' ' 533' ' ' THR . 11.2 pt -70.08 -14.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 111.295 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.77 -49.4 21.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.219 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.55 -28.79 68.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 530' ' ' ILE . 37.2 p -69.78 -49.23 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.434 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 114.8 -10.37 21.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -75.78 55.73 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.221 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -147.88 159.07 44.25 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -140.12 100.1 3.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.092 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 39.3 mt -83.32 134.7 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 29.6 p -98.95 -160.02 0.78 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.867 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . 0.54 ' C ' HD22 ' A' ' 540' ' ' ASN . 0.4 OUTLIER -40.83 -67.94 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.643 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.84 76.41 1.43 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.486 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.51 165.37 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . 0.413 ' CE2' HG22 ' A' ' 527' ' ' VAL . 88.7 t80 -124.16 100.35 6.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.079 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -105.79 142.04 36.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.907 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -154.33 149.67 27.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.943 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -103.46 139.47 38.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.956 0.408 . . . . 0.0 110.247 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -72.03 -22.74 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.323 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 32.3 m -77.55 -10.54 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.628 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 6.7 p -90.73 5.38 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.422 HD11 HD13 ' A' ' 547' ' ' LEU . 65.0 mt -79.07 149.21 32.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.5 m-20 -92.62 142.29 27.54 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.837 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -40.64 -54.8 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -66.36 -22.97 66.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.583 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 551' ' ' ASP . 66.8 m -86.71 -22.96 25.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 551' ' ' ASP . 54.6 t -71.53 -39.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.295 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . 0.52 ' NH2' ' OE1' ' A' ' 559' ' ' GLN . 6.2 mmp_? -63.99 -28.26 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -85.37 -27.19 26.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.033 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.593 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -70.92 -50.17 37.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.194 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.52 ' OE1' ' NH2' ' A' ' 556' ' ' ARG . 57.1 mt-30 -67.25 -28.1 67.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.0 t -65.18 -48.75 72.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -47.38 -57.08 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.975 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.324 -0.508 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.551 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.008 0.433 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.464 HD22 ' CG ' ' A' ' 511' ' ' HIS . 5.9 mt -133.59 88.05 35.08 Favored Pre-proline 0 C--N 1.33 -0.24 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.02 131.33 10.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 121.183 1.256 . . . . 0.0 111.467 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 70.1 t -126.08 114.01 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.7 p -93.69 129.17 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.74 113.39 28.7 Favored Pre-proline 0 N--CA 1.47 0.539 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.71 123.12 3.67 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.548 1.499 . . . . 0.0 111.708 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.43 -14.05 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.69 -23.39 49.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 19.8 m -84.52 -18.18 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.403 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.34 -170.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.164 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.0 t -140.65 118.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.078 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . 0.509 ' N ' HD22 ' B' ' 890' ' ' LEU . 3.9 mm? . . . . . 0 CA--C 1.537 0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.241 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.4 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 110.58 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.1 66.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -45.29 -61.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.2 mp -44.5 -50.05 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.94 -43.89 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.39 -24.42 63.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.1 -44.96 13.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.98 -56.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.81 -53.01 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.974 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.94 -53.31 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.499 ' CG ' HD22 ' B' ' 879' ' ' LEU . 83.4 t60 -49.71 -56.77 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.311 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -51.84 -55.32 20.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.557 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.06 -38.23 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.3 -46.46 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 8.5 ttt -51.39 -39.44 57.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.401 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.6 p -90.16 -22.85 21.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 52.2 tp -53.62 136.34 39.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.454 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -136.29 3.93 2.88 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -72.45 84.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -42.17 -29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . 0.427 ' HD1' ' C ' ' A' ' 521' ' ' HIS . 2.0 t-80 -53.7 -44.27 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 522' ' ' ILE . 1.5 mp -80.47 -50.51 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 527' ' ' VAL . 14.7 mt -45.99 -28.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.3 -43.05 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.719 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.92 -53.02 56.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 529' ' ' LEU . 71.4 mt -56.55 -59.93 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 523' ' ' LEU . 54.2 t -41.65 -58.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.739 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.94 -22.18 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -68.82 -61.33 1.85 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.334 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 531' ' ' GLU . 2.5 pp -67.95 -48.45 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . 0.696 ' N ' HD12 ' A' ' 530' ' ' ILE . 13.2 tm-20 -40.39 -43.33 1.76 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.109 0.481 . . . . 0.0 109.806 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -62.11 -42.38 99.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.959 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 530' ' ' ILE . 57.2 p -69.94 -53.26 18.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.66 -154.68 19.76 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 6.5 m80 61.68 58.59 1.98 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.441 -0.379 . . . . 0.0 111.465 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 31.0 p90 -148.34 157.68 43.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 109.905 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.6 93.58 2.98 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.081 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.425 ' CD1' HD22 ' B' ' 890' ' ' LEU . 97.2 mt -93.28 130.13 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 12.1 t -148.48 170.2 18.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 m120 41.93 -99.84 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.111 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 52.3 p -152.04 75.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.112 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . 0.415 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -174.51 163.93 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.759 179.695 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . 0.469 ' CE2' HG22 ' A' ' 527' ' ' VAL . 16.8 t80 -125.13 103.65 8.1 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.04 142.11 35.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.833 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . 0.436 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 16.8 p90 -154.58 151.23 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.855 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 546' ' ' ASP . 6.2 p-10 -101.16 143.91 30.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.3 mm? -77.86 -11.36 59.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.323 . . . . 0.0 110.573 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 7.2 t -87.42 -9.41 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.98 2.83 50.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.041 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 547' ' ' LEU . 17.3 mt -84.57 156.76 21.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.327 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 552' ' ' LYS . 28.0 t0 -103.73 154.82 19.13 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 551' ' ' ASP . 46.9 mtpt -55.41 -33.79 63.82 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.535 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . 0.407 HG22 ' NZ ' ' A' ' 557' ' ' LYS . 6.4 m -78.89 -27.67 43.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.975 0.417 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.1 m -87.33 -24.51 24.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.682 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 551' ' ' ASP . 25.2 t -69.93 -31.07 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' A' ' 559' ' ' GLN . 17.9 mmt-85 -71.5 -30.41 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.407 ' NZ ' HG22 ' A' ' 553' ' ' THR . 42.8 mttp -84.06 -26.25 29.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.353 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.9 mt -79.74 -48.44 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.963 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 556' ' ' ARG . 87.4 mt-30 -61.57 -29.39 69.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 562' ' ' LEU . 37.4 t -65.32 -50.63 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.351 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -46.21 -18.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.801 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 560' ' ' SER . 8.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . 0.405 ' HB2' ' HZ3' ' B' ' 878' ' ' LYS . 21.8 mtmm . . . . . 0 C--O 1.231 0.127 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.499 HD22 ' CG ' ' A' ' 511' ' ' HIS . 9.6 mt -138.54 87.81 14.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.95 131.02 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 121.191 1.26 . . . . 0.0 111.436 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.4 t -130.37 110.82 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.8 m -94.92 130.68 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.118 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 883' ' ' ILE . 13.8 mt -122.19 113.22 31.19 Favored Pre-proline 0 N--CA 1.469 0.521 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.53 132.61 7.27 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.62 1.546 . . . . 0.0 112.134 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 542' ' ' THR . 26.1 mt -63.77 -13.32 42.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.1 -27.44 54.11 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 53.1 m -84.59 -12.69 53.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.485 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.94 -171.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.392 . . . . 0.0 110.074 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.52 124.42 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . 0.425 HD22 ' CD1' ' A' ' 538' ' ' ILE . 65.1 mt . . . . . 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.902 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.9 tttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.95 0.405 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . 0.427 ' O ' ' OE2' ' A' ' 506' ' ' GLU . . . -55.43 -57.63 11.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.604 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -44.86 -61.49 1.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 6.7 tp -44.92 -43.1 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.51 -48.29 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 506' ' ' GLU . 0.3 OUTLIER -54.73 -25.59 28.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.095 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.17 -44.92 14.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.77 -62.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.33 -57.63 3.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.27 -53.39 58.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.562 ' CG ' HD22 ' B' ' 879' ' ' LEU . 52.5 t-80 -47.88 -62.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -49.02 -50.49 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -63.67 -36.59 84.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 514' ' ' LEU . 1.2 tt -60.63 -45.09 95.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.6 tpt -54.17 -38.71 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.5 p -90.68 -24.7 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 35.4 tp -51.24 117.1 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.587 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.1 tpt180 -110.04 -16.11 13.89 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -54.7 82.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mtm105 -50.09 -25.09 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.721 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.34 -30.43 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 18.3 mm -88.18 -50.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 111.356 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 527' ' ' VAL . 10.2 mp -46.83 -27.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.483 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -73.74 -46.46 45.77 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.124 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -63.73 -51.73 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 558' ' ' LEU . 90.7 mt -57.19 -60.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 523' ' ' LEU . 56.1 t -41.78 -61.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -56.79 -23.82 46.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.297 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -70.2 -62.23 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.49 -179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.614 HD12 ' N ' ' A' ' 531' ' ' GLU . 1.9 pp -67.35 -43.82 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 0.0 110.523 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . 0.614 ' N ' HD12 ' A' ' 530' ' ' ILE . 48.8 tp10 -43.06 -47.32 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.72 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -60.03 -28.78 68.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.238 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 530' ' ' ILE . 4.0 m -69.76 -50.54 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 117.55 -13.44 13.43 Favored Glycine 0 N--CA 1.468 0.789 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -73.92 59.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.295 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 531' ' ' GLU . 26.6 p90 -145.91 156.24 43.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.751 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' A' ' 537' ' ' HIS . 5.6 p80 -138.59 94.04 2.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.99 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.1 138.0 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.42 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 541' ' ' THR . 44.1 p -145.61 158.34 43.86 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 44.16 -97.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 539' ' ' THR . 18.5 p -151.45 76.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . 0.441 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.0 165.67 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . 0.55 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 67.4 t80 -124.18 104.07 8.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.19 143.88 41.24 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . 0.55 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 10.1 p90 -154.58 152.15 29.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.994 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -102.82 145.12 30.25 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.91 -12.9 59.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 9.3 t -84.35 -16.52 42.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.598 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 7.9 t -88.07 11.02 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.45 HD11 HD13 ' A' ' 547' ' ' LEU . 57.9 mt -86.15 148.18 25.8 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.643 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.5 m-20 -93.08 136.77 33.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.963 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -40.46 -51.57 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.5 m -66.62 -25.4 66.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 551' ' ' ASP . 94.2 m -87.16 -20.02 27.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 551' ' ' ASP . 72.5 t -76.23 -29.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -73.02 -27.21 61.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -85.2 -23.92 28.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.112 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.457 HD22 HG23 ' A' ' 526' ' ' ILE . 45.7 mt -81.49 -66.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -43.89 -29.67 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.8 m -63.25 -43.86 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.559 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -53.15 -24.25 10.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.023 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.219 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . 0.421 ' CB ' ' NZ ' ' B' ' 878' ' ' LYS . 9.3 mtmp? . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.858 0.361 . . . . 0.0 110.098 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.562 HD22 ' CG ' ' A' ' 511' ' ' HIS . 18.8 mt -144.89 87.74 7.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.463 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.87 139.53 13.9 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 121.651 1.567 . . . . 0.0 112.133 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 882' ' ' SER . 95.3 t -125.37 163.98 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.154 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . 0.591 ' N ' HG12 ' B' ' 881' ' ' VAL . 4.2 m -149.43 129.13 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.366 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 47.6 mt -134.55 135.23 23.27 Favored Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.54 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.98 133.54 25.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.387 1.391 . . . . 0.0 111.071 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . 0.441 HD21 ' C ' ' A' ' 542' ' ' THR . 30.2 mt -60.7 -13.31 14.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.492 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.08 -24.95 51.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.229 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 22.9 p -87.05 -12.52 47.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.4 m -140.06 -169.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.107 0.48 . . . . 0.0 109.846 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.9 108.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.585 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 CA--C 1.538 0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.079 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 8.3 mtmp? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -75.76 -40.38 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -45.07 -61.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.0 mp -44.08 -51.29 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.48 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 505' ' ' ASP . 0.8 OUTLIER -48.31 -44.02 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.692 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.02 -26.19 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.9 mt -83.73 -44.96 13.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.72 -55.85 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -55.37 -52.01 64.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.141 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.88 -53.65 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.421 ' CG ' HD22 ' B' ' 879' ' ' LEU . 83.4 t60 -51.25 -56.71 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.697 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -51.45 -55.21 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.561 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -58.95 -40.67 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.005 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.32 -45.67 92.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.737 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 7.9 ttt -51.55 -39.27 57.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.681 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 59.5 p -91.99 -23.1 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 43.5 tp -52.72 129.03 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.756 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -136.56 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.008 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -141.01 88.83 2.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -45.24 -23.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.222 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -63.2 -40.0 96.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.995 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 526' ' ' ILE . 17.7 mm -87.1 -53.93 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 527' ' ' VAL . 10.1 mp -44.9 -20.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.223 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . 0.534 HE22 ' H ' ' B' ' 889' ' ' VAL . 26.2 tp60 -81.81 -41.58 20.89 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.942 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.82 -51.43 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 526' ' ' ILE . 1.8 mp -57.33 -59.42 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 523' ' ' LEU . 76.4 t -42.78 -59.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.39 -25.11 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.3 OUTLIER -68.04 -59.99 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.763 0.316 . . . . 0.0 110.814 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 531' ' ' GLU . 2.0 pp -70.17 -45.14 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.605 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . 0.521 ' OE1' ' CE2' ' A' ' 536' ' ' PHE . 50.0 mm-40 -44.38 -45.99 9.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.824 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.66 -37.07 86.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.8 m -69.13 -52.19 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.546 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 109.09 107.91 3.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 2.9 m-70 163.64 63.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . 0.521 ' CE2' ' OE1' ' A' ' 531' ' ' GLU . 30.7 p90 -153.64 160.97 42.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.206 0.527 . . . . 0.0 110.859 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -130.42 93.86 3.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.069 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.414 ' CD1' HD22 ' B' ' 890' ' ' LEU . 81.5 mt -93.38 131.75 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 541' ' ' THR . 6.1 p -146.63 165.75 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 42.25 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.99 0.424 . . . . 0.0 110.286 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 539' ' ' THR . 46.6 p -151.76 76.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.301 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . 0.456 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.75 166.35 4.47 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.002 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -125.73 100.82 6.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.809 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 545' ' ' PHE . 36.8 t0 -104.01 142.24 34.78 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . 0.488 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 16.0 p90 -155.14 152.35 29.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.048 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -101.6 142.7 32.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.6 mm? -77.81 -11.65 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.6 t -88.6 -12.15 43.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 17.2 t -87.48 7.41 29.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.438 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.45 168.01 17.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.541 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.9 m-20 -118.4 137.54 53.06 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.459 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.8 OUTLIER -39.72 -46.08 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.3 m -69.23 -30.67 68.87 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.63 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 551' ' ' ASP . 7.5 m -85.07 -22.52 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.471 ' CG1' ' OE1' ' A' ' 559' ' ' GLN . 53.5 t -69.07 -30.11 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.019 0.437 . . . . 0.0 109.931 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . 0.462 ' CA ' ' HE ' ' A' ' 556' ' ' ARG . 0.0 OUTLIER -72.36 -37.39 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -77.32 -23.01 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 110.231 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.18 -60.76 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.471 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 20.8 mt-30 -50.23 -27.77 6.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.366 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 29.9 t -66.06 -52.39 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -49.88 -38.47 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.335 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 -179.661 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt . . . . . 0 C--O 1.231 0.107 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.421 HD22 ' CG ' ' A' ' 511' ' ' HIS . 7.1 mt -133.58 88.01 35.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.71 132.91 11.14 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 121.231 1.287 . . . . 0.0 111.443 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.91 109.67 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.7 m -91.97 133.25 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . 0.414 HG21 HD13 ' B' ' 883' ' ' ILE . 10.5 mt -125.4 113.08 25.72 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.34 133.66 6.68 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.636 1.557 . . . . 0.0 112.082 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . 0.456 HD21 ' C ' ' A' ' 542' ' ' THR . 28.3 mt -64.96 -13.8 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.776 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -75.2 -26.32 58.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.802 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 5.9 p -86.63 -10.4 53.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.72 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.61 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 121.127 0.489 . . . . 0.0 110.135 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . 0.534 ' H ' HE22 ' A' ' 524' ' ' GLN . 4.9 t -140.58 119.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.212 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 538' ' ' ILE . 66.6 mt . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.073 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.899 0.38 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -68.6 -48.2 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -45.48 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.2 mp -43.96 -49.76 8.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.867 0.365 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.43 -48.15 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.03 -24.61 17.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.41 -44.57 12.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.418 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.55 -58.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.97 -52.25 35.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.47 -52.1 65.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.472 ' CG ' HD22 ' B' ' 879' ' ' LEU . 50.8 t-80 -48.52 -56.75 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.424 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.14 -53.34 51.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.683 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -57.12 -48.08 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.9 -41.02 86.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.679 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.4 tpt -55.68 -37.79 68.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.262 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.9 t -103.83 16.94 25.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 45.2 tp -92.99 117.0 29.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.855 0.359 . . . . 0.0 110.767 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.01 7.67 19.91 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.53 96.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.505 ' NH1' ' O ' ' B' ' 887' ' ' SER . 40.7 mtp85 -58.15 -23.51 55.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.247 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.22 -40.19 96.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.335 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.12 -49.71 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 120.55 0.214 . . . . 0.0 110.6 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 527' ' ' VAL . 8.5 mp -45.55 -31.71 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.327 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.2 -40.67 59.06 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.732 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -66.57 -54.7 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 558' ' ' LEU . 86.8 mt -54.66 -59.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 523' ' ' LEU . 64.5 t -41.65 -63.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.635 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 528' ' ' ASN . 0.8 OUTLIER -53.52 -20.46 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.531 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.3 OUTLIER -73.76 -65.26 0.85 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.489 ' C ' HD12 ' A' ' 530' ' ' ILE . 1.4 pp -66.14 -16.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.886 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -73.71 -48.88 28.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.84 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.53 -12.97 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.338 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 12.7 m -83.37 -47.82 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 108.54 -1.12 32.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.602 ' CE1' ' HG ' ' A' ' 549' ' ' SER . 3.9 t-80 -88.56 62.54 6.59 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 122.768 -0.254 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 28.3 p90 -144.24 157.62 44.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.21 0.528 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -131.65 94.16 3.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.825 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.82 135.3 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 541' ' ' THR . 11.8 t -151.59 160.87 43.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.782 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 27.0 t30 44.26 -97.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.294 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.7 77.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.227 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . 0.471 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.09 159.62 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . 0.505 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 57.3 t80 -121.29 100.54 7.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.45 142.65 34.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.197 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 36.5 p90 -157.55 162.03 38.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.674 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -111.26 149.45 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.57 -30.47 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.977 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.31 -6.04 43.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.729 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . 0.602 ' HG ' ' CE1' ' A' ' 535' ' ' HIS . 36.4 m -90.91 4.86 50.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.93 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 29.3 mt -86.3 144.79 27.21 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 554' ' ' THR . 7.8 m-20 -88.68 144.56 26.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.468 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 12.6 mptt -41.56 -54.7 3.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.757 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.7 m -66.24 -22.65 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.441 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 551' ' ' ASP . 61.1 m -85.98 -25.98 25.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.528 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.4 t -64.7 -35.71 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -62.75 -43.92 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.556 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 557' ' ' LYS . 0.5 OUTLIER -72.86 -28.91 62.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.096 0.474 . . . . 0.0 110.191 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -68.4 -54.35 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.372 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.44 ' NE2' ' CG1' ' A' ' 555' ' ' VAL . 70.7 mt-30 -65.79 -27.04 67.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 562' ' ' LEU . 15.1 t -67.24 -48.0 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.937 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 557' ' ' LYS . 29.7 m-85 -47.84 -16.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.009 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 560' ' ' SER . 13.9 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-O 120.863 0.363 . . . . 0.0 110.702 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 33.5 mttp . . . . . 0 C--O 1.231 0.094 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' A' ' 511' ' ' HIS . 16.2 mt -144.42 92.24 6.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.67 145.13 16.05 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.462 1.441 . . . . 0.0 112.494 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.61 107.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 74.0 p -95.63 127.74 41.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 883' ' ' ILE . 15.2 mt -124.36 112.97 27.79 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.81 124.56 4.62 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.616 1.544 . . . . 0.0 111.921 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . 0.471 HD21 ' C ' ' A' ' 542' ' ' THR . 34.1 mt -55.69 -12.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.87 -22.55 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . 0.505 ' O ' ' NH1' ' A' ' 520' ' ' ARG . 45.1 t -86.93 -18.96 29.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.43 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.6 m -134.87 -170.69 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.045 0.45 . . . . 0.0 110.208 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.1 t -140.76 108.29 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.64 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . 0.422 ' N ' HD22 ' B' ' 890' ' ' LEU . 4.0 mm? . . . . . 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.089 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.845 0.355 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.81 -43.0 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -44.5 -56.48 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -46.08 -47.29 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.299 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -50.04 -40.01 43.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.78 -25.23 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.85 -46.07 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.16 -57.34 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -47.02 -53.59 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.229 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.75 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.522 ' CG ' HD22 ' B' ' 879' ' ' LEU . 65.0 t60 -50.76 -55.65 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.152 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -57.27 -55.63 32.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.39 -52.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.611 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.55 -36.12 63.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 9.1 tpt -58.8 -37.75 77.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.554 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 518' ' ' ARG . 22.8 p -106.9 17.02 23.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.548 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 28.2 tp -93.5 119.38 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.7 mpt_? -101.41 -25.59 13.88 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.013 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -50.16 86.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 518' ' ' ARG . 4.9 ptp85 -52.55 -38.08 59.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.367 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -43.77 -31.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.1 mm -87.05 -55.74 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 111.167 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 527' ' ' VAL . 9.9 mp -47.69 -27.87 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.785 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -76.46 -42.48 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -65.56 -48.59 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.612 HG23 HD21 ' A' ' 558' ' ' LEU . 97.0 mt -61.85 -57.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.617 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 523' ' ' LEU . 41.4 t -42.76 -63.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.91 0.386 . . . . 0.0 110.59 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -52.29 -27.1 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.724 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.4 OUTLIER -71.98 -63.34 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.312 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . . . . . . . . . 13.4 pt -65.99 -14.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.829 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -73.32 -47.56 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.303 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 532' ' ' GLU . 0.4 OUTLIER -59.31 -22.93 61.97 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 36.2 p -75.79 -47.91 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.26 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 107.19 2.49 35.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.24 57.52 4.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.467 0.175 . . . . 0.0 111.018 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -146.86 160.1 42.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.934 0.397 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -136.77 105.64 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.9 134.08 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 541' ' ' THR . 2.3 t -147.03 163.69 35.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.716 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 42.1 -98.14 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 539' ' ' THR . 44.5 p -151.96 76.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.26 165.6 4.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.555 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . 0.447 ' CE2' HG22 ' A' ' 527' ' ' VAL . 84.0 t80 -122.57 99.95 6.67 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.766 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.57 141.13 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.672 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -154.76 150.0 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 549' ' ' SER . 17.3 m-20 -96.99 150.33 20.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.4 mm? -82.14 -41.62 20.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.238 0.542 . . . . 0.0 109.734 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 30.4 t -62.91 -2.6 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.792 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 546' ' ' ASP . 83.9 p -92.83 6.55 47.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.86 137.96 33.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 554' ' ' THR . 8.1 m-20 -82.4 145.56 29.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.435 ' HE2' ' H ' ' A' ' 552' ' ' LYS . 1.5 mppt? -40.07 -54.88 2.19 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 17.1 m -65.44 -25.61 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 551' ' ' ASP . 69.4 m -84.11 -24.83 30.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 53.9 t -65.09 -41.49 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -64.1 -33.14 75.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.13 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -79.99 -25.15 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.217 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.612 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -74.78 -54.41 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -179.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -63.33 -24.89 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.927 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 562' ' ' LEU . 40.9 t -66.23 -49.45 67.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.736 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -50.18 -9.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.12 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 560' ' ' SER . 42.7 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.178 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 121.155 0.503 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 511' ' ' HIS . 12.4 mt -142.74 87.84 8.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.193 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.04 114.4 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 121.491 1.461 . . . . 0.0 111.915 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.0 t -105.88 121.4 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.3 m -96.76 130.24 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.502 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 95.4 mt -125.79 110.78 25.06 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.64 121.6 4.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 121.584 1.522 . . . . 0.0 111.735 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 19.4 mt -55.23 -13.79 1.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -74.62 -25.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.973 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 67.3 m -86.45 -20.68 27.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 13.9 m -128.97 -173.93 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.264 0.554 . . . . 0.0 110.87 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.26 113.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.756 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . 0.508 ' N ' HD22 ' B' ' 890' ' ' LEU . 4.2 mm? . . . . . 0 CA--C 1.54 0.575 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 53.5 mttp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.811 0.339 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -80.69 -38.06 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -45.7 -61.7 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.178 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -43.96 -50.48 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.637 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -48.74 -49.45 38.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.654 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.47 -22.85 3.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.2 -41.65 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.05 -62.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.34 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -48.06 -54.13 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.087 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 510' ' ' LEU . 3.7 mm? -58.16 -52.87 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.89 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.531 ' CG ' HD22 ' B' ' 879' ' ' LEU . 77.2 t60 -46.89 -58.82 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.31 -52.15 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 7.6 tpt85 -48.63 -55.66 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.93 -41.31 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 20.0 ttt -51.89 -40.5 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.812 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.8 p -94.89 -19.83 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.617 0.246 . . . . 0.0 110.653 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.07 117.3 4.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.969 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -102.96 -11.78 17.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.238 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.22 101.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -65.68 -29.86 70.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -45.19 -34.55 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.0 mm -86.75 -50.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' ' 527' ' ' VAL . 52.4 mt -48.47 -25.55 1.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -73.19 -45.93 53.53 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.67 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -64.7 -53.58 45.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.599 HG23 HD21 ' A' ' 558' ' ' LEU . 97.6 mt -54.64 -60.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 523' ' ' LEU . 50.1 t -41.45 -62.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -58.08 -21.56 46.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.635 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -69.23 -60.47 2.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.928 -179.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 533' ' ' THR . 38.2 pt -68.48 -39.42 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.333 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . 0.434 ' N ' HG13 ' A' ' 530' ' ' ILE . 38.7 tt0 -44.6 -46.16 9.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.411 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.88 -27.95 67.13 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 530' ' ' ILE . 5.3 m -69.83 -49.19 55.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 112.7 -11.76 25.38 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.68 71.05 9.77 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.154 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 24.8 p90 -156.3 164.94 37.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.29 0.567 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.488 ' N ' ' CD2' ' A' ' 537' ' ' HIS . 3.4 p80 -144.11 99.29 3.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.862 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 542' ' ' THR . 5.5 mt -82.82 121.42 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.477 ' CG2' ' OG1' ' A' ' 542' ' ' THR . 10.0 t -82.95 -161.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . 0.539 ' C ' HD22 ' A' ' 540' ' ' ASN . 0.3 OUTLIER -42.91 -69.2 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 8.8 m -141.19 75.94 1.52 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 110.169 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -174.06 160.12 3.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.137 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 527' ' ' VAL . 89.2 t80 -121.74 104.05 9.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.7 OUTLIER -108.19 140.93 40.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.959 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 545' ' ' PHE . 13.5 p90 -153.68 153.08 31.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.826 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 549' ' ' SER . 10.2 p-10 -102.31 146.6 27.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.1 mm? -79.42 -11.53 59.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.368 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 6.2 t -86.13 -7.58 58.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.725 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . 0.449 ' N ' ' OD2' ' A' ' 546' ' ' ASP . 4.7 p -91.07 6.01 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.401 HD11 HD13 ' A' ' 547' ' ' LEU . 28.3 mt -83.32 131.17 35.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.441 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 555' ' ' VAL . 18.5 t70 -76.48 155.08 34.13 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -47.92 -54.99 10.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.816 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 71.0 m -66.16 -22.4 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 51.4 m -84.79 -27.73 26.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.687 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 36.1 t -64.79 -39.45 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . 0.721 HH12 HE22 ' A' ' 559' ' ' GLN . 26.6 mmt-85 -67.08 -31.85 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.87 -24.22 38.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.182 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.599 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -75.03 -51.59 13.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.295 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.721 HE22 HH12 ' A' ' 556' ' ' ARG . 17.7 mt-30 -66.04 -25.27 66.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.274 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 63.7 p -64.53 -49.3 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.497 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -48.58 -28.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.081 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.86 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 73.1 tttt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.759 0.314 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 511' ' ' HIS . 7.1 mt -136.87 87.97 19.0 Favored Pre-proline 0 C--N 1.33 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.46 131.59 11.68 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 121.111 1.207 . . . . 0.0 111.511 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.47 107.28 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 82.8 p -89.82 127.93 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.22 114.21 27.71 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -43.06 129.07 5.67 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.822 1.681 . . . . 0.0 112.285 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . 0.463 HD21 ' C ' ' A' ' 542' ' ' THR . 31.9 mt -62.02 -13.39 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.636 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.21 47.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 43.7 t -89.43 -13.7 37.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.47 -169.99 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 121.029 0.443 . . . . 0.0 110.18 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.74 146.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.921 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . 0.406 HD11 HD22 ' B' ' 885' ' ' LEU . 33.8 mt . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.234 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 62.0 mttp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -53.74 -60.19 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.41 -61.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.207 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.0 mp -44.21 -48.86 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -50.3 -42.28 52.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -61.7 -26.98 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.512 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.1 mt -84.73 -45.01 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.2 -62.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -49.39 -53.21 23.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.832 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.532 HD11 HD11 ' A' ' 562' ' ' LEU . 18.5 tp -56.54 -49.78 73.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.527 ' CG ' HD22 ' B' ' 879' ' ' LEU . 78.1 t60 -52.83 -55.16 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -49.97 -51.28 42.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -61.11 -40.17 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.042 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.9 -43.94 97.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 0.0 110.599 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 11.9 tpt -53.66 -38.9 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.464 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.1 p -90.4 -22.42 21.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 44.7 tp -54.29 141.61 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -136.44 3.91 2.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.164 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' ' 523' ' ' LEU . 61.8 mt-10 -57.76 109.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.361 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . 0.532 ' NH1' ' NE2' ' A' ' 524' ' ' GLN . 61.8 ttt-85 -72.47 -23.37 61.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 521' ' ' HIS . 0.2 OUTLIER -77.48 -27.5 51.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 522' ' ' ILE . 1.3 mp -88.2 -51.99 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 527' ' ' VAL . 6.5 mp -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.923 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . 0.532 ' NE2' ' NH1' ' A' ' 520' ' ' ARG . 84.8 mt-30 -79.49 -42.16 25.86 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.51 -52.94 48.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.447 HG23 HD22 ' A' ' 558' ' ' LEU . 75.3 mt -54.17 -58.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.63 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 523' ' ' LEU . 49.9 t -41.78 -58.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.698 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.55 -20.94 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.436 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -71.05 -62.67 1.31 Allowed 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.925 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 533' ' ' THR . 44.0 pt -66.69 -47.45 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.589 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . 0.471 ' N ' HG13 ' A' ' 530' ' ' ILE . 28.0 tt0 -41.17 -42.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.04 -34.32 77.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 530' ' ' ILE . 30.6 p -69.49 -50.76 42.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 123.43 -16.48 8.0 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 549' ' ' SER . 13.3 m-70 -75.79 48.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.556 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -139.01 154.15 48.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.249 0.547 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -138.18 128.17 25.59 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.362 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 542' ' ' THR . 7.0 mt -110.09 121.43 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 62.6 p -85.56 -160.97 0.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -42.01 -68.72 0.17 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . 0.41 ' C ' ' OG1' ' A' ' 542' ' ' THR . 34.5 p -144.1 75.87 1.48 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.075 0.464 . . . . 0.0 110.459 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.2 OUTLIER -173.79 165.19 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 530' ' ' ILE . 89.9 t80 -118.64 103.26 9.53 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.22 138.87 42.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.048 0.452 . . . . 0.0 111.116 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -154.12 137.04 15.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -91.55 143.82 26.19 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 547' ' ' LEU . 3.2 mm? -77.12 -20.58 55.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.547 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.94 -9.11 59.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . 0.472 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 27.1 p -95.55 13.82 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.46 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 547' ' ' LEU . 76.7 mt -87.77 161.24 17.69 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 554' ' ' THR . 1.1 m-20 -104.26 140.4 37.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.659 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -40.17 -55.14 2.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.552 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.0 m -66.08 -24.95 66.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.822 0.344 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 551' ' ' ASP . 88.6 m -82.72 -29.14 30.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 551' ' ' ASP . 67.2 t -65.66 -38.51 82.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -73.03 -23.27 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -83.23 -25.26 31.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 526' ' ' ILE . 40.8 mt -80.98 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.426 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 19.7 mt-30 -43.86 -28.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 562' ' ' LEU . 67.2 m -68.22 -51.82 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -45.95 -15.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.621 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.532 HD11 HD11 ' A' ' 510' ' ' LEU . 9.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.697 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . 0.431 ' CB ' ' NZ ' ' B' ' 878' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.864 0.364 . . . . 0.0 110.081 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 511' ' ' HIS . 11.3 mt -139.27 88.61 12.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -80.22 131.06 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 121.278 1.319 . . . . 0.0 111.307 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . 0.425 HG22 ' CE1' ' A' ' 511' ' ' HIS . 91.9 t -125.65 106.69 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 17.9 p -99.45 124.78 44.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.223 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.4 143.49 39.65 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.56 133.24 27.33 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.922 1.748 . . . . 0.0 112.163 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.3 -12.47 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.455 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -73.21 -24.19 60.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 38.0 t -86.03 -12.03 51.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.421 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.43 -175.58 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.137 0.494 . . . . 0.0 110.266 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 5.0 t -139.93 117.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.837 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 2.7 mm? . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 N--CA 1.468 0.444 0 CA-C-O 120.878 0.371 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -45.58 -61.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.668 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -44.12 -50.9 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.558 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -47.74 -43.24 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.577 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.9 mt -81.69 -46.16 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.112 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 61.1 t -54.98 -58.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -44.6 -55.81 4.88 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.23 -54.84 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . 0.553 ' CG ' HD22 ' B' ' 879' ' ' LEU . 86.6 t60 -44.68 -64.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -49.85 -50.24 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.544 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.74 -39.81 90.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.16 -45.08 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.429 . . . . 0.0 110.579 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 515' ' ' MET . 13.5 tmm? -52.94 -38.82 62.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.367 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.5 p -89.89 -22.75 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 42.7 tp -55.33 140.47 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -136.1 3.12 2.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.31 104.82 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -60.17 -37.6 80.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -43.05 -34.0 0.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.874 0.369 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 15.4 mm -87.77 -54.27 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 527' ' ' VAL . 47.1 mt -48.84 -23.97 1.28 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -42.87 25.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.562 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -66.65 -51.48 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 529' ' ' LEU . 96.5 mt -58.59 -58.19 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 523' ' ' LEU . 43.1 t -42.3 -59.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.405 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 528' ' ' ASN . 1.4 m120 -59.22 -23.67 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.2 OUTLIER -72.88 -64.01 1.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 531' ' ' GLU . 42.5 pt -65.79 -49.62 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.374 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 530' ' ' ILE . 25.5 tt0 -45.06 -41.56 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.257 0.551 . . . . 0.0 109.517 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.79 -41.43 95.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.062 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 82.1 p -68.84 -50.94 45.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.63 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . 0.564 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 114.57 105.86 2.63 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 1.5 m170 165.29 50.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -138.8 151.46 47.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.18 0.514 . . . . 0.0 110.778 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -128.32 94.1 3.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.526 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 65.9 mt -90.88 135.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 541' ' ' THR . 96.5 m -147.96 153.83 39.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . 0.419 ' N ' HG22 ' A' ' 539' ' ' THR . 31.9 t30 45.58 -93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.304 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.52 77.42 1.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.446 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . 0.477 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.1 OUTLIER -173.17 162.29 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.768 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -122.12 100.5 7.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 109.993 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.6 OUTLIER -101.77 138.93 38.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -153.9 136.44 15.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.65 133.72 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 110.242 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -69.53 -19.57 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.048 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 19.0 m -81.65 -9.38 59.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 85.0 p -90.99 10.7 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 61.6 mt -86.44 -175.31 5.42 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.6 m-20 -131.12 134.68 46.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.658 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.488 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.9 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -178.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -68.68 -29.46 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 551' ' ' ASP . 50.1 m -86.27 -23.34 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.5 t -70.55 -29.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.394 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . 0.692 ' NH1' HE22 ' A' ' 559' ' ' GLN . 33.1 mmt-85 -74.66 -29.73 61.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -82.06 -23.7 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.402 HD22 HG23 ' A' ' 526' ' ' ILE . 48.7 mt -81.7 -64.85 1.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.641 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . 0.692 HE22 ' NH1' ' A' ' 556' ' ' ARG . 14.6 mt-30 -43.85 -26.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . 0.48 ' C ' ' N ' ' A' ' 562' ' ' LEU . 25.6 p -63.51 -48.25 78.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.751 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -48.97 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.477 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . 0.48 ' N ' ' C ' ' A' ' 560' ' ' SER . 27.2 mt . . . . . 0 N--CA 1.464 0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 121.088 0.47 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . 0.553 HD22 ' CG ' ' A' ' 511' ' ' HIS . 12.9 mt -137.99 86.99 16.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -80.8 128.56 6.74 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.472 1.448 . . . . 0.0 111.081 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.35 107.05 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 19.9 m -97.92 126.54 43.37 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.5 143.5 41.67 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.24 131.42 26.64 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.765 1.643 . . . . 0.0 111.582 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . 0.477 HD21 ' C ' ' A' ' 542' ' ' THR . 48.2 mt -60.59 -13.62 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.626 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.06 61.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.79 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 73.5 m -86.72 -12.73 47.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' B' ' 885' ' ' LEU . 7.4 m -139.82 -172.58 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.063 0.459 . . . . 0.0 110.158 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 16.5 t -140.72 130.28 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.131 179.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.5 mttt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.818 0.342 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.26 79.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.702 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -44.82 -61.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.417 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -44.6 -47.87 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.648 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.04 -41.63 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.716 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' GLU . . . . . 0.426 ' O ' HD13 ' A' ' 510' ' ' LEU . 57.1 mt-10 -61.49 -25.21 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.728 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.0 mt -85.13 -43.0 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.56 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.28 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.963 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -49.08 -54.6 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.063 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 506' ' ' GLU . 4.6 mp -51.64 -47.27 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -59.36 -48.36 81.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.528 ' CA ' ' HE ' ' A' ' 512' ' ' ARG . 0.0 OUTLIER -53.32 -56.59 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.513 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -65.8 -35.5 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.519 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.94 -44.99 94.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.454 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 515' ' ' MET . 1.6 tmt? -53.9 -38.21 64.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.611 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 65.7 p -92.2 -23.5 19.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.657 0.265 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 519' ' ' GLU . 41.8 tp -53.51 125.12 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.332 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -24.26 12.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.819 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 521' ' ' HIS . 0.9 OUTLIER -39.66 100.69 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.593 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -72.76 -31.76 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.31 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' HIS . . . . . 0.545 ' N ' ' OE1' ' A' ' 519' ' ' GLU . 11.2 t-80 -57.14 -37.68 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 11.7 mm -80.17 -51.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 527' ' ' VAL . 6.2 mp -45.77 -27.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.661 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.71 -44.46 33.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.7 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -63.51 -50.82 68.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ILE . . . . . 0.49 HG23 HD21 ' A' ' 558' ' ' LEU . 96.7 mt -56.63 -59.65 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.738 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 523' ' ' LEU . 55.8 t -41.9 -61.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.713 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -52.69 -23.85 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' LEU . . . . . 0.453 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.3 OUTLIER -72.52 -63.04 1.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 531' ' ' GLU . 30.2 pt -67.38 -37.15 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.276 0.56 . . . . 0.0 110.25 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' GLU . . . . . 0.446 ' N ' HG13 ' A' ' 530' ' ' ILE . 14.8 tm-20 -54.21 -48.78 70.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.19 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.325 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 8.7 m -69.41 -51.37 37.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.325 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.41 -24.39 5.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -73.31 55.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -147.43 158.29 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.09 0.472 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -135.55 146.56 48.15 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.578 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 79.6 mt -138.71 133.58 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.465 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' THR . . . . . 0.495 HG23 HD21 ' A' ' 540' ' ' ASN . 0.7 OUTLIER -143.08 163.39 32.97 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.425 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . 0.495 HD21 HG23 ' A' ' 539' ' ' THR . 1.3 p30 38.92 -95.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.635 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 539' ' ' THR . 43.9 p -151.54 77.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' THR . . . . . 0.454 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.1 OUTLIER -172.85 165.9 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.602 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -124.49 100.21 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.809 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -105.63 143.44 33.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 111.27 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.05 147.8 24.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.013 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.07 146.32 26.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -79.42 -13.6 59.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.063 0.459 . . . . 0.0 109.986 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 13.1 t -88.59 -13.84 39.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.648 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 5.0 t -89.86 11.88 18.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.373 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.02 141.35 34.47 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 554' ' ' THR . 28.6 m-20 -84.21 143.95 29.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.459 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 4.6 mptp? -40.3 -54.16 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.4 m -65.83 -26.6 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 551' ' ' ASP . 84.7 m -83.13 -22.01 33.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.562 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 551' ' ' ASP . 52.4 t -68.04 -44.3 84.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -65.94 -29.87 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.1 -30.52 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.971 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.49 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -69.06 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.169 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.66 -27.79 7.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.9 t -68.95 -55.63 10.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -45.93 -57.64 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 878' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp . . . . . 0 N--CA 1.457 -0.107 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.39 88.16 10.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.79 140.35 14.55 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 121.549 1.499 . . . . 0.0 113.175 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 47.1 t -134.38 106.34 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.958 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 18.0 p -92.14 130.07 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.78 113.83 28.52 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.8 130.83 7.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.621 1.547 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 885' ' ' LEU . . . . . 0.454 HD21 ' C ' ' A' ' 542' ' ' THR . 35.0 mt -60.17 -13.69 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.78 -23.29 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.738 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 29.1 t -87.26 -14.54 40.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.415 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.21 -170.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.03 0.443 . . . . 0.0 110.071 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 6.1 t -140.47 130.49 28.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.177 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 51.5 mt . . . . . 0 CA--C 1.537 0.478 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.477 -179.708 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 52.5 t0 . . . . . 0 N--CA 1.492 1.665 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -78.59 -4.27 47.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.465 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -78.58 -41.16 32.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.681 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -45.56 -61.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.503 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 504' ' ' LEU . 9.7 mp -43.87 -51.95 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 0.0 110.444 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . 0.425 ' O ' ' OE1' ' A' ' 509' ' ' GLU . 20.4 t70 -46.87 -50.53 18.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.476 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -51.98 -24.53 6.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.631 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.5 mt -85.94 -43.61 13.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.498 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 53.9 t -57.29 -60.31 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . 0.426 ' CD ' ' N ' ' A' ' 509' ' ' GLU . 1.8 mp0 -49.93 -53.39 26.5 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.022 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.48 -51.49 68.28 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.464 ' CG ' HD22 ' B' ' 879' ' ' LEU . 81.0 t60 -51.76 -57.02 10.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.815 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.478 HH12 HG21 ' A' ' 516' ' ' THR . 25.9 tpt85 -53.2 -53.07 56.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.373 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -57.57 -45.87 84.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.978 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 14.8 mt -57.56 -41.45 81.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 34.4 tpp -55.66 -38.71 69.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.547 -178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.478 HG21 HH12 ' A' ' 512' ' ' ARG . 72.9 p -93.05 -24.24 18.38 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 9.3 tp -53.03 137.18 33.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.974 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 520' ' ' ARG . 7.9 tpm_? -125.98 -18.88 4.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.232 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 519' ' ' GLU . 0.0 OUTLIER -46.66 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.041 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 518' ' ' ARG . 79.4 mtm180 -60.76 -23.79 65.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.748 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -61.64 -33.05 73.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.727 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.4 mp -86.63 -50.74 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.394 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.642 ' O ' HG23 ' A' ' 527' ' ' VAL . 52.1 mt -47.43 -28.72 2.25 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.566 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -76.19 -41.5 49.38 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -65.94 -54.43 26.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.621 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.593 HG23 HD21 ' A' ' 558' ' ' LEU . 94.2 mt -54.76 -59.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.368 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 523' ' ' LEU . 54.0 t -42.57 -63.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.609 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -51.48 -24.51 5.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.315 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.437 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.3 OUTLIER -73.24 -63.11 1.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.445 ' O ' ' OG1' ' A' ' 533' ' ' THR . 11.2 pt -70.08 -14.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.342 0.592 . . . . 0.0 111.295 -179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.77 -49.4 21.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.219 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -60.55 -28.79 68.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.614 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 530' ' ' ILE . 37.2 p -69.78 -49.23 54.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.434 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 114.8 -10.37 21.18 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -75.78 55.73 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.221 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -147.88 159.07 44.25 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.039 0.447 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 16.0 m80 -140.12 100.1 3.83 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.092 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 39.3 mt -83.32 134.7 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 29.6 p -98.95 -160.02 0.78 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.867 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.54 ' C ' HD22 ' A' ' 540' ' ' ASN . 0.4 OUTLIER -40.83 -67.94 0.21 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.643 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -146.84 76.41 1.43 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.948 0.404 . . . . 0.0 110.486 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.51 165.37 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . 0.413 ' CE2' HG22 ' A' ' 527' ' ' VAL . 88.7 t80 -124.16 100.35 6.67 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.079 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -105.79 142.04 36.19 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.907 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -154.33 149.67 27.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.943 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -103.46 139.47 38.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.956 0.408 . . . . 0.0 110.247 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -72.03 -22.74 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.323 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 32.3 m -77.55 -10.54 59.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.628 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 6.7 p -90.73 5.38 48.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.999 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.422 HD11 HD13 ' A' ' 547' ' ' LEU . 65.0 mt -79.07 149.21 32.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.626 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.5 m-20 -92.62 142.29 27.54 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.837 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -40.64 -54.8 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -66.36 -22.97 66.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.583 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 551' ' ' ASP . 66.8 m -86.71 -22.96 25.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 551' ' ' ASP . 54.6 t -71.53 -39.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.295 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . 0.52 ' NH2' ' OE1' ' A' ' 559' ' ' GLN . 6.2 mmp_? -63.99 -28.26 69.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -85.37 -27.19 26.01 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.033 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.593 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -70.92 -50.17 37.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.194 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.52 ' OE1' ' NH2' ' A' ' 556' ' ' ARG . 57.1 mt-30 -67.25 -28.1 67.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.082 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 10.0 t -65.18 -48.75 72.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -47.38 -57.08 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.975 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.1 -34.89 70.68 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.551 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 564' ' ' THR . 51.0 mm-40 -77.82 44.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.703 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 563' ' ' GLU . 49.4 p -49.47 -179.06 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.61 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 93.1 p -165.7 -155.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.642 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -162.86 104.14 0.23 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 59.2 p -77.94 113.64 16.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.583 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . 0.475 ' C ' ' H ' ' B' ' 878' ' ' LYS . 77.2 p . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.4 38.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.693 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' B' ' 876' ' ' THR . 27.0 mtmm -149.48 142.06 24.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.134 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.464 HD22 ' CG ' ' A' ' 511' ' ' HIS . 5.9 mt -133.59 88.05 35.08 Favored Pre-proline 0 C--N 1.33 -0.24 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.02 131.33 10.91 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 121.183 1.256 . . . . 0.0 111.467 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 70.1 t -126.08 114.01 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 41.7 p -93.69 129.17 40.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 88.1 mt -123.74 113.39 28.7 Favored Pre-proline 0 N--CA 1.47 0.539 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -43.71 123.12 3.67 Favored 'Trans proline' 0 N--CA 1.493 1.451 0 C-N-CA 121.548 1.499 . . . . 0.0 111.708 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 16.9 mt -56.43 -14.05 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.69 -23.39 49.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.479 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 19.8 m -84.52 -18.18 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.403 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.34 -170.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 121.01 0.433 . . . . 0.0 110.164 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.0 t -140.65 118.13 9.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.078 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . 0.509 ' N ' HD22 ' B' ' 890' ' ' LEU . 3.9 mm? -91.88 120.28 68.01 Favored Pre-proline 0 CA--C 1.537 0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.241 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.12 91.24 1.21 Allowed 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 121.995 1.796 . . . . 0.0 112.043 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 22.8 t -160.8 48.49 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.658 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -79.43 -86.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -85.41 67.47 10.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' B' ' 895' ' ' GLU . 1.2 pp20? -58.19 148.35 27.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.616 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 58.1 ttp85 -73.35 -61.99 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.558 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -165.88 143.95 5.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.58 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -74.62 -68.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 60.9 m 55.18 70.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.617 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.527 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 37.4 p-10 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -76.83 -9.08 58.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -61.1 -52.1 66.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.644 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -45.29 -61.66 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.528 -179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.575 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.2 mp -44.5 -50.05 9.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.959 0.409 . . . . 0.0 110.552 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.94 -43.89 50.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.774 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 72.3 mt-10 -59.39 -24.42 63.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.3 mt -84.1 -44.96 13.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 65.8 t -54.98 -56.92 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.79 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -52.81 -53.01 54.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.974 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.94 -53.31 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.499 ' CG ' HD22 ' B' ' 879' ' ' LEU . 83.4 t60 -49.71 -56.77 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.311 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -51.84 -55.32 20.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.557 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -59.06 -38.23 78.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 8.5 mt -64.3 -46.46 83.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 8.5 ttt -51.39 -39.44 57.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.401 -179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.6 p -90.16 -22.85 21.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.436 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 52.2 tp -53.62 136.34 39.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.454 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -136.29 3.93 2.88 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.164 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -72.45 84.13 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.257 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -42.17 -29.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.102 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . 0.427 ' HD1' ' C ' ' A' ' 521' ' ' HIS . 2.0 t-80 -53.7 -44.27 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.629 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 522' ' ' ILE . 1.5 mp -80.47 -50.51 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 527' ' ' VAL . 14.7 mt -45.99 -28.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -79.3 -43.05 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.719 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -63.92 -53.02 56.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.763 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 529' ' ' LEU . 71.4 mt -56.55 -59.93 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.665 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 523' ' ' LEU . 54.2 t -41.65 -58.24 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.739 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -61.94 -22.18 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.188 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -68.82 -61.33 1.85 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.818 0.342 . . . . 0.0 110.334 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 531' ' ' GLU . 2.5 pp -67.95 -48.45 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.684 -179.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.696 ' N ' HD12 ' A' ' 530' ' ' ILE . 13.2 tm-20 -40.39 -43.33 1.76 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.109 0.481 . . . . 0.0 109.806 179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -62.11 -42.38 99.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.959 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.517 ' N ' ' O ' ' A' ' 530' ' ' ILE . 57.2 p -69.94 -53.26 18.66 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.506 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 127.66 -154.68 19.76 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 6.5 m80 61.68 58.59 1.98 Allowed 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.441 -0.379 . . . . 0.0 111.465 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 31.0 p90 -148.34 157.68 43.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 109.905 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.6 93.58 2.98 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.081 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.425 ' CD1' HD22 ' B' ' 890' ' ' LEU . 97.2 mt -93.28 130.13 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 12.1 t -148.48 170.2 18.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.566 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 m120 41.93 -99.84 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.111 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 52.3 p -152.04 75.65 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.112 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . 0.415 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -174.51 163.93 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.759 179.695 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . 0.469 ' CE2' HG22 ' A' ' 527' ' ' VAL . 16.8 t80 -125.13 103.65 8.1 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.04 142.11 35.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.833 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . 0.436 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 16.8 p90 -154.58 151.23 28.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.855 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 546' ' ' ASP . 6.2 p-10 -101.16 143.91 30.68 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.3 mm? -77.86 -11.36 59.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.777 0.323 . . . . 0.0 110.573 -179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 7.2 t -87.42 -9.41 54.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.98 2.83 50.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.041 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 547' ' ' LEU . 17.3 mt -84.57 156.76 21.48 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.327 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 552' ' ' LYS . 28.0 t0 -103.73 154.82 19.13 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.483 ' N ' ' OD1' ' A' ' 551' ' ' ASP . 46.9 mtpt -55.41 -33.79 63.82 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.535 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . 0.407 HG22 ' NZ ' ' A' ' 557' ' ' LYS . 6.4 m -78.89 -27.67 43.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.975 0.417 . . . . 0.0 110.29 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 4.1 m -87.33 -24.51 24.27 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.682 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 551' ' ' ASP . 25.2 t -69.93 -31.07 46.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . 0.449 ' NH1' ' OE1' ' A' ' 559' ' ' GLN . 17.9 mmt-85 -71.5 -30.41 65.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.407 ' NZ ' HG22 ' A' ' 553' ' ' THR . 42.8 mttp -84.06 -26.25 29.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.353 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 25.9 mt -79.74 -48.44 13.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.963 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.449 ' OE1' ' NH1' ' A' ' 556' ' ' ARG . 87.4 mt-30 -61.57 -29.39 69.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 562' ' ' LEU . 37.4 t -65.32 -50.63 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.351 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -46.21 -18.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.801 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 560' ' ' SER . 8.6 mt -82.45 -58.04 3.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.874 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -61.28 -13.95 22.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.503 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 565' ' ' SER . 3.7 m 44.32 45.23 7.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.546 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 564' ' ' THR . 20.5 p 52.04 173.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.482 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 177.25 73.44 0.06 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 43.6 p 46.21 32.32 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.612 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.571 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . . . . . . . . . 83.9 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -78.72 38.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.657 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.405 ' HB2' ' HZ3' ' B' ' 878' ' ' LYS . 21.8 mtmm -139.42 178.87 6.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.835 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.499 HD22 ' CG ' ' A' ' 511' ' ' HIS . 9.6 mt -138.54 87.81 14.94 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -77.95 131.02 10.77 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 121.191 1.26 . . . . 0.0 111.436 -179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.4 t -130.37 110.82 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.8 m -94.92 130.68 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.118 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . 0.417 HD13 HG21 ' B' ' 883' ' ' ILE . 13.8 mt -122.19 113.22 31.19 Favored Pre-proline 0 N--CA 1.469 0.521 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.53 132.61 7.27 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.62 1.546 . . . . 0.0 112.134 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 542' ' ' THR . 26.1 mt -63.77 -13.32 42.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.798 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.1 -27.44 54.11 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 53.1 m -84.59 -12.69 53.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.485 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -141.94 -171.72 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.922 0.392 . . . . 0.0 110.074 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.7 t -140.52 124.42 17.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.133 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . 0.425 HD22 ' CD1' ' A' ' 538' ' ' ILE . 65.1 mt -79.97 148.67 68.7 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.902 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.7 96.04 0.98 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.193 1.929 . . . . 0.0 111.749 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 75.2 m -47.69 -88.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.71 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . 0.532 ' CD ' ' N ' ' B' ' 893' ' ' ARG . 0.7 OUTLIER 48.48 70.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.355 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -162.93 57.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.71 161.2 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.489 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -171.83 -130.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.34 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -160.32 96.56 1.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.836 0.35 . . . . 0.0 110.53 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 37.2 mmm-85 -73.69 95.8 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 85.6 p 45.93 77.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.555 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -79.06 -17.64 54.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.636 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.427 ' O ' ' OE2' ' A' ' 506' ' ' GLU . . . -55.43 -57.63 11.07 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.604 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -44.86 -61.49 1.58 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.447 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . . . . . . . . . 6.7 tp -44.92 -43.1 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.806 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.51 -48.29 72.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.603 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 506' ' ' GLU . 0.3 OUTLIER -54.73 -25.59 28.61 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.095 179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.4 mt -83.17 -44.92 14.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.607 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.77 -62.44 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.943 0.402 . . . . 0.0 110.675 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -44.33 -57.63 3.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.105 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.27 -53.39 58.71 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.562 ' CG ' HD22 ' B' ' 879' ' ' LEU . 52.5 t-80 -47.88 -62.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.047 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -49.02 -50.49 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.413 -179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -63.67 -36.59 84.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 514' ' ' LEU . 1.2 tt -60.63 -45.09 95.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.932 0.396 . . . . 0.0 110.629 -179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.6 tpt -54.17 -38.71 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.655 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.5 p -90.68 -24.7 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.272 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 35.4 tp -51.24 117.1 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.587 -179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.1 tpt180 -110.04 -16.11 13.89 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.422 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -54.7 82.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mtm105 -50.09 -25.09 3.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.721 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -58.34 -30.43 66.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.738 0.304 . . . . 0.0 110.923 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 18.3 mm -88.18 -50.72 13.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 111.356 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 527' ' ' VAL . 10.2 mp -46.83 -27.16 1.14 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.483 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -73.74 -46.46 45.77 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.124 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -63.73 -51.73 63.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.648 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 558' ' ' LEU . 90.7 mt -57.19 -60.24 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.724 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 523' ' ' LEU . 56.1 t -41.78 -61.58 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -56.79 -23.82 46.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.297 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.465 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -70.2 -62.23 1.47 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.49 -179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.614 HD12 ' N ' ' A' ' 531' ' ' GLU . 1.9 pp -67.35 -43.82 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.03 0.443 . . . . 0.0 110.523 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.614 ' N ' HD12 ' A' ' 530' ' ' ILE . 48.8 tp10 -43.06 -47.32 5.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.72 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -60.03 -28.78 68.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.238 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.539 ' N ' ' O ' ' A' ' 530' ' ' ILE . 4.0 m -69.76 -50.54 42.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 117.55 -13.44 13.43 Favored Glycine 0 N--CA 1.468 0.789 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -73.92 59.73 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.295 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 531' ' ' GLU . 26.6 p90 -145.91 156.24 43.4 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.751 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.458 ' CG ' ' O ' ' A' ' 537' ' ' HIS . 5.6 p80 -138.59 94.04 2.8 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.99 179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 59.2 mt -87.1 138.0 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.42 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 541' ' ' THR . 44.1 p -145.61 158.34 43.86 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.905 0.383 . . . . 0.0 110.702 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 44.16 -97.23 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.368 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 539' ' ' THR . 18.5 p -151.45 76.89 1.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.262 179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . 0.441 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.0 165.67 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . 0.55 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 67.4 t80 -124.18 104.07 8.62 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.19 143.88 41.24 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . 0.55 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 10.1 p90 -154.58 152.15 29.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.994 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -102.82 145.12 30.25 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.601 HD22 ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.91 -12.9 59.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.93 0.395 . . . . 0.0 110.203 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 9.3 t -84.35 -16.52 42.57 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.598 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 7.9 t -88.07 11.02 17.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.809 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.45 HD11 HD13 ' A' ' 547' ' ' LEU . 57.9 mt -86.15 148.18 25.8 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.643 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.5 m-20 -93.08 136.77 33.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.963 179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.3 mmtt -40.46 -51.57 2.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.5 m -66.62 -25.4 66.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.595 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 551' ' ' ASP . 94.2 m -87.16 -20.02 27.62 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 551' ' ' ASP . 72.5 t -76.23 -29.78 19.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -73.02 -27.21 61.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -85.2 -23.92 28.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.112 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.457 HD22 HG23 ' A' ' 526' ' ' ILE . 45.7 mt -81.49 -66.21 0.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.605 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 563' ' ' GLU . 37.1 mt-30 -43.89 -29.67 0.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 68.8 m -63.25 -43.86 96.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.559 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -53.15 -24.25 10.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.023 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 14.3 mt -110.85 -19.5 12.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.219 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 559' ' ' GLN . 45.1 tt0 46.27 46.16 13.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.482 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 564' ' ' THR . 1.6 t -57.6 149.54 21.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.463 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 91.5 p 47.84 -135.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.484 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 79.53 37.83 22.62 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 43.8 p -59.95 123.17 16.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.921 -1.038 . . . . 0.0 110.575 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -78.21 38.34 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.801 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.421 ' CB ' ' NZ ' ' B' ' 878' ' ' LYS . 9.3 mtmp? -84.04 -161.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.098 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.562 HD22 ' CG ' ' A' ' 511' ' ' HIS . 18.8 mt -144.89 87.74 7.2 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.463 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.87 139.53 13.9 Favored 'Trans proline' 0 C--N 1.308 -1.595 0 C-N-CA 121.651 1.567 . . . . 0.0 112.133 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . 0.591 HG12 ' N ' ' B' ' 882' ' ' SER . 95.3 t -125.37 163.98 25.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.154 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . 0.591 ' N ' HG12 ' B' ' 881' ' ' VAL . 4.2 m -149.43 129.13 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.366 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 47.6 mt -134.55 135.23 23.27 Favored Pre-proline 0 N--CA 1.468 0.43 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.54 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.98 133.54 25.42 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 121.387 1.391 . . . . 0.0 111.071 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . 0.441 HD21 ' C ' ' A' ' 542' ' ' THR . 30.2 mt -60.7 -13.31 14.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.492 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.08 -24.95 51.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.229 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 22.9 p -87.05 -12.52 47.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.207 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.4 m -140.06 -169.22 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 121.107 0.48 . . . . 0.0 109.846 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.4 t -140.9 108.35 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.585 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' B' ' 891' ' ' PRO . 4.4 mm? -91.09 113.74 59.23 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.079 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' B' ' 890' ' ' LEU . 77.8 Cg_exo -41.81 167.51 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.723 1.615 . . . . 0.0 111.881 179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 6.4 t -160.1 -64.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.36 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 894' ' ' ALA . 17.0 mmm180 -79.76 8.21 7.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' B' ' 893' ' ' ARG . . . 54.48 107.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.564 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . 0.518 ' H ' ' CD ' ' B' ' 895' ' ' GLU . 3.9 mp0 -60.18 -11.47 6.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 52.8 ttm-85 -74.32 128.53 35.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . 0.412 ' C ' ' H ' ' B' ' 899' ' ' SER . . . 53.99 44.92 28.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' B' ' 899' ' ' SER . 40.4 ptt85 -76.67 15.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . 0.42 ' O ' ' O ' ' B' ' 898' ' ' ARG . 12.8 m 58.39 117.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . 0.412 ' O ' ' O ' ' B' ' 899' ' ' SER . 40.6 m . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' A' ' 501' ' ' LYS . 8.3 mtmp? -80.09 -7.84 59.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.631 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -75.76 -40.38 55.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -45.07 -61.44 1.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.52 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.0 mp -44.08 -51.29 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.48 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 505' ' ' ASP . 0.8 OUTLIER -48.31 -44.02 33.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.692 -179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -60.02 -26.19 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.603 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 12.9 mt -83.73 -44.96 13.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 63.0 t -53.72 -55.85 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.713 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -55.37 -52.01 64.92 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.141 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.3 mp -54.88 -53.65 52.63 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.421 ' CG ' HD22 ' B' ' 879' ' ' LEU . 83.4 t60 -51.25 -56.71 11.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.697 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 4.6 tpm_? -51.45 -55.21 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.561 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -58.95 -40.67 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.005 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.32 -45.67 92.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.737 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 7.9 ttt -51.55 -39.27 57.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.681 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 59.5 p -91.99 -23.1 19.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.367 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 43.5 tp -52.72 129.03 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.756 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -136.56 70.12 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.008 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -141.01 88.83 2.2 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.36 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -45.24 -23.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.222 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -63.2 -40.0 96.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.995 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.491 HG22 HD13 ' A' ' 526' ' ' ILE . 17.7 mm -87.1 -53.93 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.998 0.428 . . . . 0.0 110.79 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 527' ' ' VAL . 10.1 mp -44.9 -20.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.223 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . 0.534 HE22 ' H ' ' B' ' 889' ' ' VAL . 26.2 tp60 -81.81 -41.58 20.89 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.942 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.82 -51.43 62.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 526' ' ' ILE . 1.8 mp -57.33 -59.42 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.35 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 523' ' ' LEU . 76.4 t -42.78 -59.73 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.152 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -58.39 -25.11 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.477 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.3 OUTLIER -68.04 -59.99 2.83 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.763 0.316 . . . . 0.0 110.814 -179.191 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.401 HG13 ' H ' ' A' ' 531' ' ' GLU . 2.0 pp -70.17 -45.14 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.605 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.521 ' OE1' ' CE2' ' A' ' 536' ' ' PHE . 50.0 mm-40 -44.38 -45.99 9.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.824 179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.66 -37.07 86.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.275 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 23.8 m -69.13 -52.19 30.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.546 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . 0.573 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 109.09 107.91 3.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 2.9 m-70 163.64 63.67 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . 0.521 ' CE2' ' OE1' ' A' ' 531' ' ' GLU . 30.7 p90 -153.64 160.97 42.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.206 0.527 . . . . 0.0 110.859 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -130.42 93.86 3.54 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.069 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.414 ' CD1' HD22 ' B' ' 890' ' ' LEU . 81.5 mt -93.38 131.75 39.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 541' ' ' THR . 6.1 p -146.63 165.75 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 42.25 -98.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.99 0.424 . . . . 0.0 110.286 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 539' ' ' THR . 46.6 p -151.76 76.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.301 179.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . 0.456 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.75 166.35 4.47 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.002 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -125.73 100.82 6.59 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.809 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 545' ' ' PHE . 36.8 t0 -104.01 142.24 34.78 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.623 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . 0.488 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 16.0 p90 -155.14 152.35 29.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.048 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -101.6 142.7 32.57 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.6 mm? -77.81 -11.65 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.6 t -88.6 -12.15 43.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.34 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 17.2 t -87.48 7.41 29.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.438 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 45.6 mt -82.45 168.01 17.88 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.541 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 554' ' ' THR . 4.9 m-20 -118.4 137.54 53.06 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.459 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.8 OUTLIER -39.72 -46.08 1.82 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.187 -179.111 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.3 m -69.23 -30.67 68.87 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.63 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 551' ' ' ASP . 7.5 m -85.07 -22.52 28.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.471 ' CG1' ' OE1' ' A' ' 559' ' ' GLN . 53.5 t -69.07 -30.11 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.019 0.437 . . . . 0.0 109.931 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . 0.462 ' CA ' ' HE ' ' A' ' 556' ' ' ARG . 0.0 OUTLIER -72.36 -37.39 68.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.974 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -77.32 -23.01 51.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.892 0.377 . . . . 0.0 110.231 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.18 -60.76 2.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.526 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.471 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 20.8 mt-30 -50.23 -27.77 6.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.366 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 29.9 t -66.06 -52.39 49.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.135 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -49.88 -38.47 35.77 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.335 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.0 -18.63 64.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.744 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -158.04 78.38 0.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 58.4 p -67.32 159.8 28.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 80.1 p -68.93 -170.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.607 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 568' ' ' SER . . . 79.08 33.67 35.66 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 7.0 m 60.71 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.566 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 566' ' ' GLY . 42.6 t . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.597 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . 0.458 ' C ' ' H ' ' B' ' 878' ' ' LYS . 21.9 p . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -74.59 38.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.675 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.458 ' H ' ' C ' ' B' ' 876' ' ' THR . 35.2 mmtt -137.8 140.7 40.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.852 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.421 HD22 ' CG ' ' A' ' 511' ' ' HIS . 7.1 mt -133.58 88.01 35.29 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.71 132.91 11.14 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 121.231 1.287 . . . . 0.0 111.443 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 69.1 t -131.91 109.67 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 23.7 m -91.97 133.25 35.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.264 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . 0.414 HG21 HD13 ' B' ' 883' ' ' ILE . 10.5 mt -125.4 113.08 25.72 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -43.34 133.66 6.68 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.636 1.557 . . . . 0.0 112.082 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . 0.456 HD21 ' C ' ' A' ' 542' ' ' THR . 28.3 mt -64.96 -13.8 58.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.776 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -75.2 -26.32 58.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.802 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 5.9 p -86.63 -10.4 53.95 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.72 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.7 m -141.61 -172.59 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.133 0 CA-C-O 121.127 0.489 . . . . 0.0 110.135 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . 0.534 ' H ' HE22 ' A' ' 524' ' ' GLN . 4.9 t -140.58 119.33 10.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.212 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . 0.414 HD22 ' CD1' ' A' ' 538' ' ' ILE . 66.6 mt -75.11 149.46 84.96 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.073 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.46 126.01 9.4 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.171 1.914 . . . . 0.0 111.737 179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 21.2 p -65.54 143.13 57.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -72.72 66.69 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.486 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -59.73 116.96 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -76.97 130.8 37.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -174.28 -170.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 57.07 14.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.578 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -47.86 106.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.573 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 44.2 t -74.48 134.84 42.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.568 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 900' ' ' THR . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.555 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 11.9 t0 . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -65.33 -4.83 5.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -68.6 -48.2 64.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.55 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -45.48 -60.06 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.557 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.2 mp -43.96 -49.76 8.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.867 0.365 . . . . 0.0 110.435 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -48.43 -48.15 37.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.51 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.03 -24.61 17.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 110.354 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.0 mt -85.41 -44.57 12.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.418 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 59.6 t -57.55 -58.68 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.914 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -49.97 -52.25 35.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.47 -52.1 65.97 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.472 ' CG ' HD22 ' B' ' 879' ' ' LEU . 50.8 t-80 -48.52 -56.75 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.424 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -53.14 -53.34 51.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.683 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 65.8 mtp85 -57.12 -48.08 79.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.478 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 19.6 mt -58.9 -41.02 86.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 0.0 110.679 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 13.4 tpt -55.68 -37.79 68.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.262 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 9.9 t -103.83 16.94 25.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.801 -0.181 . . . . 0.0 110.635 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 45.2 tp -92.99 117.0 29.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.855 0.359 . . . . 0.0 110.767 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.01 7.67 19.91 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -71.53 96.06 1.48 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.632 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.505 ' NH1' ' O ' ' B' ' 887' ' ' SER . 40.7 mtp85 -58.15 -23.51 55.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.247 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -63.22 -40.19 96.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.335 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 1.5 mp -87.12 -49.71 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 120.55 0.214 . . . . 0.0 110.6 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.662 ' O ' HG23 ' A' ' 527' ' ' VAL . 8.5 mp -45.55 -31.71 1.95 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.327 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -75.2 -40.67 59.06 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.732 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -66.57 -54.7 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.479 HG23 HD21 ' A' ' 558' ' ' LEU . 86.8 mt -54.66 -59.23 2.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 523' ' ' LEU . 64.5 t -41.65 -63.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.635 -178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 528' ' ' ASN . 0.8 OUTLIER -53.52 -20.46 4.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.531 179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.3 OUTLIER -73.76 -65.26 0.85 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.946 0.403 . . . . 0.0 110.338 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.489 ' C ' HD12 ' A' ' 530' ' ' ILE . 1.4 pp -66.14 -16.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.886 -179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -73.71 -48.88 28.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.84 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.53 -12.97 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.338 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 12.7 m -83.37 -47.82 11.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.082 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 108.54 -1.12 32.48 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.602 ' CE1' ' HG ' ' A' ' 549' ' ' SER . 3.9 t-80 -88.56 62.54 6.59 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 122.768 -0.254 . . . . 0.0 110.847 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 28.3 p90 -144.24 157.62 44.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.21 0.528 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -131.65 94.16 3.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.825 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 70.6 mt -94.82 135.3 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 541' ' ' THR . 11.8 t -151.59 160.87 43.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.782 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 27.0 t30 44.26 -97.06 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.294 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.7 77.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.227 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . 0.471 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.0 OUTLIER -173.09 159.62 3.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 179.712 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . 0.505 ' CE2' ' CD1' ' A' ' 545' ' ' PHE . 57.3 t80 -121.29 100.54 7.1 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.45 142.65 34.83 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.197 -179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 543' ' ' PHE . 36.5 p90 -157.55 162.03 38.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.674 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -111.26 149.45 31.01 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.999 0.428 . . . . 0.0 110.843 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.0 mm? -79.57 -30.47 41.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.977 179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 4.4 t -73.31 -6.04 43.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.729 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . 0.602 ' HG ' ' CE1' ' A' ' 535' ' ' HIS . 36.4 m -90.91 4.86 50.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.93 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 29.3 mt -86.3 144.79 27.21 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.48 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 554' ' ' THR . 7.8 m-20 -88.68 144.56 26.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.468 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 12.6 mptt -41.56 -54.7 3.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.757 -179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.7 m -66.24 -22.65 66.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.441 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 551' ' ' ASP . 61.1 m -85.98 -25.98 25.71 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.528 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.467 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.4 t -64.7 -35.71 75.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? -62.75 -43.92 97.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.556 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.53 ' N ' ' CD ' ' A' ' 557' ' ' LYS . 0.5 OUTLIER -72.86 -28.91 62.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.096 0.474 . . . . 0.0 110.191 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.479 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -68.4 -54.35 17.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.372 -179.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.44 ' NE2' ' CG1' ' A' ' 555' ' ' VAL . 70.7 mt-30 -65.79 -27.04 67.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 562' ' ' LEU . 15.1 t -67.24 -48.0 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.937 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 557' ' ' LYS . 29.7 m-85 -47.84 -16.05 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.009 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.424 ' N ' ' C ' ' A' ' 560' ' ' SER . 13.9 mt -81.28 -60.64 2.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.863 0.363 . . . . 0.0 110.702 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -88.44 48.01 1.58 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.753 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 14.3 p -53.16 153.05 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.528 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 85.6 p -72.11 -151.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -173.59 -59.28 0.05 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 57.9 p -47.82 -37.83 14.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.665 0.269 . . . . 0.0 110.527 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.51 -179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . 0.484 ' C ' ' H ' ' B' ' 878' ' ' LYS . 7.8 m . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . 0.508 ' N ' HD22 ' B' ' 877' ' ' ASN . 1.8 m120 -73.16 38.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' B' ' 876' ' ' THR . 33.5 mttp -148.75 162.42 39.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.658 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.472 HD22 ' CG ' ' A' ' 511' ' ' HIS . 16.2 mt -144.42 92.24 6.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 -179.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.67 145.13 16.05 Favored 'Trans proline' 0 C--N 1.308 -1.594 0 C-N-CA 121.462 1.441 . . . . 0.0 112.494 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 60.0 t -136.61 107.61 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.547 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 74.0 p -95.63 127.74 41.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.105 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . 0.4 HD13 HG21 ' B' ' 883' ' ' ILE . 15.2 mt -124.36 112.97 27.79 Favored Pre-proline 0 N--CA 1.47 0.558 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -43.81 124.56 4.62 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 121.616 1.544 . . . . 0.0 111.921 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . 0.471 HD21 ' C ' ' A' ' 542' ' ' THR . 34.1 mt -55.69 -12.81 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.87 -22.55 49.66 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . 0.505 ' O ' ' NH1' ' A' ' 520' ' ' ARG . 45.1 t -86.93 -18.96 29.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.43 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.6 m -134.87 -170.69 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 121.045 0.45 . . . . 0.0 110.208 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.1 t -140.76 108.29 2.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.64 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . 0.422 ' N ' HD22 ' B' ' 890' ' ' LEU . 4.0 mm? -90.38 130.74 40.61 Favored Pre-proline 0 CA--C 1.539 0.529 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.089 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -76.88 178.26 7.84 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 121.92 1.747 . . . . 0.0 111.676 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 32.6 t 56.5 173.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.536 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -171.3 87.34 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.393 . . . . 0.0 110.579 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . 53.18 95.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.658 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -80.65 7.53 9.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -50.82 141.25 13.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.682 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 49.98 99.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.65 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -61.13 -38.81 87.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.486 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 37.6 m -55.6 -71.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.542 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.518 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -76.61 -5.8 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.544 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -83.81 -43.0 15.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.657 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -44.5 -56.48 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.633 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -46.08 -47.29 17.19 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.299 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -50.04 -40.01 43.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -64.78 -25.23 67.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.421 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.85 -46.07 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.184 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.5 t -58.16 -57.34 11.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -47.02 -53.59 12.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.229 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.75 -50.75 72.75 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.522 ' CG ' HD22 ' B' ' 879' ' ' LEU . 65.0 t60 -50.76 -55.65 15.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.092 0.473 . . . . 0.0 110.152 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 43.0 ttt-85 -57.27 -55.63 32.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.405 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -52.39 -52.67 52.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.611 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 13.2 mt -54.55 -36.12 63.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.53 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 9.1 tpt -58.8 -37.75 77.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.554 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . 0.44 ' O ' ' NH1' ' A' ' 518' ' ' ARG . 22.8 p -106.9 17.02 23.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.548 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 28.2 tp -93.5 119.38 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.02 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.525 ' O ' ' N ' ' A' ' 520' ' ' ARG . 8.7 mpt_? -101.41 -25.59 13.88 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.013 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -50.16 86.84 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.567 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 518' ' ' ARG . 4.9 ptp85 -52.55 -38.08 59.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.367 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -43.77 -31.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.975 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.1 mm -87.05 -55.74 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 0.0 111.167 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 527' ' ' VAL . 9.9 mp -47.69 -27.87 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.785 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -76.46 -42.48 43.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -65.56 -48.59 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.467 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.612 HG23 HD21 ' A' ' 558' ' ' LEU . 97.0 mt -61.85 -57.2 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.617 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 523' ' ' LEU . 41.4 t -42.76 -63.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.91 0.386 . . . . 0.0 110.59 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -52.29 -27.1 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.724 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.4 OUTLIER -71.98 -63.34 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.312 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . . . . . . . . . 13.4 pt -65.99 -14.46 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.829 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -73.32 -47.56 41.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.303 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 532' ' ' GLU . 0.4 OUTLIER -59.31 -22.93 61.97 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.654 -179.608 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 36.2 p -75.79 -47.91 23.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.26 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 107.19 2.49 35.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -87.24 57.52 4.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.467 0.175 . . . . 0.0 111.018 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -146.86 160.1 42.72 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.934 0.397 . . . . 0.0 110.492 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -136.77 105.64 5.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.553 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 63.6 mt -95.9 134.08 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 541' ' ' THR . 2.3 t -147.03 163.69 35.44 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.716 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 42.1 -98.14 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.258 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 539' ' ' THR . 44.5 p -151.96 76.6 1.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.237 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.26 165.6 4.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.555 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . 0.447 ' CE2' HG22 ' A' ' 527' ' ' VAL . 84.0 t80 -122.57 99.95 6.67 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.766 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -102.57 141.13 35.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.672 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -154.76 150.0 27.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.108 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . 0.414 ' O ' ' OG ' ' A' ' 549' ' ' SER . 17.3 m-20 -96.99 150.33 20.89 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.291 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.4 mm? -82.14 -41.62 20.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.238 0.542 . . . . 0.0 109.734 178.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 30.4 t -62.91 -2.6 1.25 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.792 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 546' ' ' ASP . 83.9 p -92.83 6.55 47.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.708 0.29 . . . . 0.0 110.901 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 17.6 mt -83.86 137.96 33.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.348 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 554' ' ' THR . 8.1 m-20 -82.4 145.56 29.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.324 -0.398 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.435 ' HE2' ' H ' ' A' ' 552' ' ' LYS . 1.5 mppt? -40.07 -54.88 2.19 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.636 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 17.1 m -65.44 -25.61 67.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.471 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 551' ' ' ASP . 69.4 m -84.11 -24.83 30.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.647 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 53.9 t -65.09 -41.49 92.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -64.1 -33.14 75.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.13 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -79.99 -25.15 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.217 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.612 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -74.78 -54.41 7.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.298 -179.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -63.33 -24.89 68.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.927 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 562' ' ' LEU . 40.9 t -66.23 -49.45 67.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.736 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -50.18 -9.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.12 -179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 560' ' ' SER . 42.7 mt -81.05 -59.28 2.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.757 0.313 . . . . 0.0 110.178 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -73.15 -2.44 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.629 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 566' ' ' GLY . 71.5 p 50.85 93.17 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.549 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 45.3 t -76.19 27.72 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 564' ' ' THR . . . 59.53 154.1 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 1.7 t -50.69 -12.76 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.865 0.364 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . 0.438 ' N ' ' C ' ' A' ' 566' ' ' GLY . 32.0 p . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.602 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . 0.474 ' N ' HD21 ' A' ' 504' ' ' LEU . 37.7 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' B' ' 878' ' ' LYS . 20.7 m120 -77.36 29.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.651 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' B' ' 876' ' ' THR . 26.8 mmtp 57.44 148.77 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.874 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 511' ' ' HIS . 12.4 mt -142.74 87.84 8.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.193 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -79.04 114.4 3.37 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 121.491 1.461 . . . . 0.0 111.915 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 72.0 t -105.88 121.4 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 4.3 m -96.76 130.24 44.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.502 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 95.4 mt -125.79 110.78 25.06 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -45.64 121.6 4.19 Favored 'Trans proline' 0 N--CA 1.492 1.396 0 C-N-CA 121.584 1.522 . . . . 0.0 111.735 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 19.4 mt -55.23 -13.79 1.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.87 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -74.62 -25.62 59.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.973 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 67.3 m -86.45 -20.68 27.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.47 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 13.9 m -128.97 -173.93 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-O 121.264 0.554 . . . . 0.0 110.87 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 3.2 t -141.26 113.53 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.756 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . 0.508 ' N ' HD22 ' B' ' 890' ' ' LEU . 4.2 mm? -88.2 124.47 66.49 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.158 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -39.55 106.63 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.895 1.73 . . . . 0.0 112.597 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 26.6 m -86.04 164.06 17.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.227 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 45.6 mtp180 -44.58 -26.4 0.36 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -75.99 154.12 36.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -46.34 152.13 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.61 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -60.5 -175.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.592 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . 54.12 -98.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.556 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -77.98 157.27 29.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.478 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 20.7 m -165.44 17.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.558 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.544 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 53.5 mttp -69.43 -9.26 52.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.557 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -80.69 -38.06 29.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.642 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -45.7 -61.7 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.178 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -43.96 -50.48 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 110.637 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -48.74 -49.45 38.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.654 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.47 -22.85 3.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.534 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 9.7 mt -86.2 -41.65 14.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.56 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.05 -62.61 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 0.0 111.34 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -48.06 -54.13 14.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.087 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 510' ' ' LEU . 3.7 mm? -58.16 -52.87 63.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.89 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.531 ' CG ' HD22 ' B' ' 879' ' ' LEU . 77.2 t60 -46.89 -58.82 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -49.31 -52.15 29.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.698 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 7.6 tpt85 -48.63 -55.66 10.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.837 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 26.9 mt -57.93 -41.31 82.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.256 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 20.0 ttt -51.89 -40.5 60.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.812 -178.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 38.8 p -94.89 -19.83 19.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.617 0.246 . . . . 0.0 110.653 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.07 117.3 4.55 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.969 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -102.96 -11.78 17.95 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.238 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 -67.22 101.66 0.94 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.475 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -65.68 -29.86 70.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.987 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -45.19 -34.55 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.639 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 13.0 mm -86.75 -50.77 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' ' 527' ' ' VAL . 52.4 mt -48.47 -25.55 1.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.099 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -73.19 -45.93 53.53 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.67 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 57.2 mm-40 -64.7 -53.58 45.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.99 0.424 . . . . 0.0 110.67 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.599 HG23 HD21 ' A' ' 558' ' ' LEU . 97.6 mt -54.64 -60.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.672 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 523' ' ' LEU . 50.1 t -41.45 -62.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.594 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -58.08 -21.56 46.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.635 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -69.23 -60.47 2.32 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.529 -0.469 . . . . 0.0 109.928 -179.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 533' ' ' THR . 38.2 pt -68.48 -39.42 80.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 120.256 -0.578 . . . . 0.0 110.333 -179.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.434 ' N ' HG13 ' A' ' 530' ' ' ILE . 38.7 tt0 -44.6 -46.16 9.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.411 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.88 -27.95 67.13 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.315 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 530' ' ' ILE . 5.3 m -69.83 -49.19 55.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.705 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 112.7 -11.76 25.38 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -82.68 71.05 9.77 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.154 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 536' ' ' PHE . 24.8 p90 -156.3 164.94 37.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.29 0.567 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.488 ' N ' ' CD2' ' A' ' 537' ' ' HIS . 3.4 p80 -144.11 99.29 3.36 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.862 179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 542' ' ' THR . 5.5 mt -82.82 121.42 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.477 ' CG2' ' OG1' ' A' ' 542' ' ' THR . 10.0 t -82.95 -161.19 0.46 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.894 0.378 . . . . 0.0 110.9 -179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.539 ' C ' HD22 ' A' ' 540' ' ' ASN . 0.3 OUTLIER -42.91 -69.2 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . . . . . . . . . 8.8 m -141.19 75.94 1.52 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 110.169 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -174.06 160.12 3.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.137 179.679 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 527' ' ' VAL . 89.2 t80 -121.74 104.05 9.32 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.7 OUTLIER -108.19 140.93 40.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.959 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 545' ' ' PHE . 13.5 p90 -153.68 153.08 31.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.826 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 549' ' ' SER . 10.2 p-10 -102.31 146.6 27.8 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 2.1 mm? -79.42 -11.53 59.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 110.368 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 6.2 t -86.13 -7.58 58.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.725 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . 0.449 ' N ' ' OD2' ' A' ' 546' ' ' ASP . 4.7 p -91.07 6.01 46.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.401 HD11 HD13 ' A' ' 547' ' ' LEU . 28.3 mt -83.32 131.17 35.09 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.441 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 555' ' ' VAL . 18.5 t70 -76.48 155.08 34.13 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -47.92 -54.99 10.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.816 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 71.0 m -66.16 -22.4 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.526 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . . . . . . . . . 51.4 m -84.79 -27.73 26.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.687 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 551' ' ' ASP . 36.1 t -64.79 -39.45 85.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . 0.721 HH12 HE22 ' A' ' 559' ' ' GLN . 26.6 mmt-85 -67.08 -31.85 72.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.146 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -80.87 -24.22 38.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.182 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.599 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -75.03 -51.59 13.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.295 -179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.721 HE22 HH12 ' A' ' 556' ' ' ARG . 17.7 mt-30 -66.04 -25.27 66.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.274 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.438 ' O ' ' N ' ' A' ' 563' ' ' GLU . 63.7 p -64.53 -49.3 71.82 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.497 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -48.58 -28.25 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 111.081 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.54 -12.52 27.42 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.867 0.365 . . . . 0.0 110.388 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 560' ' ' SER . 36.3 mt-10 -150.46 59.66 0.95 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 28.2 p -61.89 126.82 28.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.685 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 67.6 p -79.22 150.6 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.499 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 568' ' ' SER . . . -170.49 90.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 82.8 p -59.74 -5.36 0.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.495 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 566' ' ' GLY . 8.3 t . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . 0.476 ' C ' ' H ' ' B' ' 878' ' ' LYS . 60.5 p . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -73.82 38.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.956 0.408 . . . . 0.0 110.442 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' B' ' 876' ' ' THR . 73.1 tttt -169.67 146.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.17 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.531 HD22 ' CG ' ' A' ' 511' ' ' HIS . 7.1 mt -136.87 87.97 19.0 Favored Pre-proline 0 C--N 1.33 -0.283 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.46 131.59 11.68 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 121.111 1.207 . . . . 0.0 111.511 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 76.7 t -126.47 107.28 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 82.8 p -89.82 127.93 36.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.699 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 62.0 mt -124.22 114.21 27.71 Favored Pre-proline 0 CA--C 1.537 0.475 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -43.06 129.07 5.67 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.822 1.681 . . . . 0.0 112.285 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . 0.463 HD21 ' C ' ' A' ' 542' ' ' THR . 31.9 mt -62.02 -13.39 25.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.636 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -78.33 -23.21 47.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 43.7 t -89.43 -13.7 37.07 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.338 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.47 -169.99 0.52 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 121.029 0.443 . . . . 0.0 110.18 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 4.1 t -140.74 146.35 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.921 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' B' ' 892' ' ' SER . 33.8 mt -108.49 101.58 43.49 Favored Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.234 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.79 78.1 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.175 1.916 . . . . 0.0 112.324 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . 0.497 ' N ' ' O ' ' B' ' 890' ' ' LEU . 4.3 t 178.25 13.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -51.81 -44.85 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.64 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -159.49 122.59 3.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' B' ' 895' ' ' GLU . 28.0 mp0 -75.43 -77.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -164.6 -58.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.613 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -160.3 81.1 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.605 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' B' ' 899' ' ' SER . 85.7 mtt180 55.58 67.24 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.614 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . 0.422 ' O ' ' O ' ' B' ' 898' ' ' ARG . 6.8 m 57.62 114.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.515 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . 0.419 ' N ' ' OD1' ' A' ' 500' ' ' ASP . 2.5 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -77.97 -8.63 58.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.564 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -53.74 -60.19 3.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.64 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -45.41 -61.02 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.207 -179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.0 mp -44.21 -48.86 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.544 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -50.3 -42.28 52.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -61.7 -26.98 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.512 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.1 mt -84.73 -45.01 12.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.355 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 97.7 t -58.2 -62.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -49.39 -53.21 23.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.832 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.532 HD11 HD11 ' A' ' 562' ' ' LEU . 18.5 tp -56.54 -49.78 73.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.868 0.366 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.527 ' CG ' HD22 ' B' ' 879' ' ' LEU . 78.1 t60 -52.83 -55.16 25.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.596 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -49.97 -51.28 42.79 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.371 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . 0.643 ' NH2' ' H ' ' A' ' 565' ' ' SER . 59.9 ttt180 -61.11 -40.17 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.042 -179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 34.3 mt -62.9 -43.94 97.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 0.0 110.599 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . . . . . . . . . 11.9 tpt -53.66 -38.9 64.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.464 -179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 21.1 p -90.4 -22.42 21.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.383 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 44.7 tp -54.29 141.61 29.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.95 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -136.44 3.91 2.84 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.164 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . 0.421 ' O ' HD13 ' A' ' 523' ' ' LEU . 61.8 mt-10 -57.76 109.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.361 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.532 ' NH1' ' NE2' ' A' ' 524' ' ' GLN . 61.8 ttt-85 -72.47 -23.37 61.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 521' ' ' HIS . 0.2 OUTLIER -77.48 -27.5 51.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.451 -179.791 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.401 ' N ' ' CD1' ' A' ' 522' ' ' ILE . 1.3 mp -88.2 -51.99 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 527' ' ' VAL . 6.5 mp -46.42 -27.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.923 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . 0.532 ' NE2' ' NH1' ' A' ' 520' ' ' ARG . 84.8 mt-30 -79.49 -42.16 25.86 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.733 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -65.51 -52.94 48.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.076 0.465 . . . . 0.0 110.81 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.447 HG23 HD22 ' A' ' 558' ' ' LEU . 75.3 mt -54.17 -58.93 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.63 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 523' ' ' LEU . 49.9 t -41.78 -58.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.698 -179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -61.55 -20.94 63.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.436 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 529' ' ' LEU . 0.4 OUTLIER -71.05 -62.67 1.31 Allowed 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 120.678 -0.409 . . . . 0.0 109.925 -179.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 533' ' ' THR . 44.0 pt -66.69 -47.45 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.589 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.471 ' N ' HG13 ' A' ' 530' ' ' ILE . 28.0 tt0 -41.17 -42.14 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.348 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.04 -34.32 77.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.833 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 530' ' ' ILE . 30.6 p -69.49 -50.76 42.27 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.976 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 123.43 -16.48 8.0 Favored Glycine 0 N--CA 1.467 0.749 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 549' ' ' SER . 13.3 m-70 -75.79 48.37 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.556 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -139.01 154.15 48.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.249 0.547 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -138.18 128.17 25.59 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.362 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 542' ' ' THR . 7.0 mt -110.09 121.43 62.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . . . . . . . . . 62.6 p -85.56 -160.97 0.56 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.021 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -42.01 -68.72 0.17 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.493 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . 0.41 ' C ' ' OG1' ' A' ' 542' ' ' THR . 34.5 p -144.1 75.87 1.48 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.075 0.464 . . . . 0.0 110.459 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.2 OUTLIER -173.79 165.19 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 179.365 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . 0.405 ' CZ ' HD11 ' A' ' 530' ' ' ILE . 89.9 t80 -118.64 103.26 9.53 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.22 138.87 42.61 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.048 0.452 . . . . 0.0 111.116 -179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -154.12 137.04 15.4 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.262 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -91.55 143.82 26.19 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.537 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 547' ' ' LEU . 3.2 mm? -77.12 -20.58 55.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.547 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 8.0 t -82.94 -9.11 59.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . 0.472 ' O ' ' ND1' ' A' ' 535' ' ' HIS . 27.1 p -95.55 13.82 24.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.46 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' ' 547' ' ' LEU . 76.7 mt -87.77 161.24 17.69 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.754 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 554' ' ' THR . 1.1 m-20 -104.26 140.4 37.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.659 179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -40.17 -55.14 2.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.552 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.0 m -66.08 -24.95 66.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.822 0.344 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 551' ' ' ASP . 88.6 m -82.72 -29.14 30.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.452 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 551' ' ' ASP . 67.2 t -65.66 -38.51 82.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 121.012 0.434 . . . . 0.0 110.094 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 27.6 mmm-85 -73.03 -23.27 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -83.23 -25.26 31.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.209 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.447 HD22 HG23 ' A' ' 526' ' ' ILE . 40.8 mt -80.98 -65.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.426 ' OE1' ' CG1' ' A' ' 555' ' ' VAL . 19.7 mt-30 -43.86 -28.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.8 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 562' ' ' LEU . 67.2 m -68.22 -51.82 41.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -45.95 -15.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.621 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.532 HD11 HD11 ' A' ' 510' ' ' LEU . 9.4 mt -90.65 -49.64 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.959 0.409 . . . . 0.0 110.697 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 51.9 33.76 12.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.454 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 68.9 p 42.15 70.14 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . 0.643 ' H ' ' NH2' ' A' ' 513' ' ' ARG . 28.8 t -69.7 68.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.664 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -73.36 174.55 47.42 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 567' ' ' THR . 1.8 t -64.09 141.76 58.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 110.563 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 43.9 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.573 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . 0.474 ' C ' ' H ' ' B' ' 878' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -73.86 38.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.65 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' B' ' 876' ' ' THR . 0.1 OUTLIER -158.91 145.34 16.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.081 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.527 HD22 ' CG ' ' A' ' 511' ' ' HIS . 11.3 mt -139.27 88.61 12.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -80.22 131.06 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 121.278 1.319 . . . . 0.0 111.307 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . 0.425 HG22 ' CE1' ' A' ' 511' ' ' HIS . 91.9 t -125.65 106.69 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 17.9 p -99.45 124.78 44.9 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.223 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.4 143.49 39.65 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -68.56 133.24 27.33 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.922 1.748 . . . . 0.0 112.163 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . . . . . . . . . 23.1 mt -61.3 -12.47 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.455 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -73.21 -24.19 60.48 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 38.0 t -86.03 -12.03 51.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.421 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 5.3 m -139.43 -175.58 1.06 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-O 121.137 0.494 . . . . 0.0 110.266 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 5.0 t -139.93 117.23 10.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.837 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' B' ' 890' ' ' LEU . 2.7 mm? -81.37 150.07 66.63 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.893 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . 0.422 ' CD ' ' OE1' ' A' ' 531' ' ' GLU . 74.1 Cg_endo -72.57 113.4 3.72 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.486 2.124 . . . . 0.0 112.109 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 26.9 t -69.25 127.19 32.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.369 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -67.38 -60.65 2.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.626 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -77.77 155.4 31.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -157.98 -32.74 0.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.422 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . . . . . . . . . 28.3 ttm180 -170.92 -67.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.468 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . . . . . . . . . . . -165.46 -169.07 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.506 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 17.2 ptt-85 -169.82 144.7 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 8.3 t -162.57 -71.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.642 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 82.1 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.546 179.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -124.81 -20.68 4.95 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.638 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.25 68.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.515 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -45.58 -61.66 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.668 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -44.12 -50.9 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.558 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -47.74 -43.24 26.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.577 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.347 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.9 mt -81.69 -46.16 14.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.112 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 61.1 t -54.98 -58.2 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.397 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -44.6 -55.81 4.88 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.982 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.23 -54.84 42.34 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . 0.553 ' CG ' HD22 ' B' ' 879' ' ' LEU . 86.6 t60 -44.68 -64.15 0.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -49.85 -50.24 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.544 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . 0.526 HH12 ' CB ' ' A' ' 564' ' ' THR . 55.2 mtp180 -60.74 -39.81 90.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 16.5 mt -64.16 -45.08 90.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.429 . . . . 0.0 110.579 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . 0.446 ' SD ' ' C ' ' A' ' 515' ' ' MET . 13.5 tmm? -52.94 -38.82 62.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.367 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 66.5 p -89.89 -22.75 21.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.409 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 42.7 tp -55.33 140.47 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.684 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -136.1 3.12 2.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.375 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -80.31 104.82 11.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.482 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.6 ptt-85 -60.17 -37.6 80.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.967 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -43.05 -34.0 0.94 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.874 0.369 . . . . 0.0 110.688 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 15.4 mm -87.77 -54.27 8.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 527' ' ' VAL . 47.1 mt -48.84 -23.97 1.28 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -79.11 -42.87 25.28 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.562 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -66.65 -51.48 55.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.765 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 529' ' ' LEU . 96.5 mt -58.59 -58.19 7.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.665 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 523' ' ' LEU . 43.1 t -42.3 -59.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.856 0.36 . . . . 0.0 110.405 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . 0.516 ' N ' ' ND2' ' A' ' 528' ' ' ASN . 1.4 m120 -59.22 -23.67 62.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 526' ' ' ILE . 0.2 OUTLIER -72.88 -64.01 1.05 Allowed 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.499 HG13 ' N ' ' A' ' 531' ' ' GLU . 42.5 pt -65.79 -49.62 76.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.374 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.499 ' N ' HG13 ' A' ' 530' ' ' ILE . 25.5 tt0 -45.06 -41.56 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.257 0.551 . . . . 0.0 109.517 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -64.79 -41.43 95.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.062 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 82.1 p -68.84 -50.94 45.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.63 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . 0.564 ' O ' ' CG ' ' A' ' 535' ' ' HIS . . . 114.57 105.86 2.63 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.489 -1.045 . . . . 0.0 110.489 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 534' ' ' GLY . 1.5 m170 165.29 50.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 38.7 p90 -138.8 151.46 47.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.18 0.514 . . . . 0.0 110.778 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -128.32 94.1 3.81 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.526 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 65.9 mt -90.88 135.36 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.159 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 541' ' ' THR . 96.5 m -147.96 153.83 39.53 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.586 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.419 ' N ' HG22 ' A' ' 539' ' ' THR . 31.9 t30 45.58 -93.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.304 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 539' ' ' THR . 7.1 m -151.52 77.42 1.24 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.446 179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . 0.477 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.1 OUTLIER -173.17 162.29 4.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.768 179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -122.12 100.5 7.0 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 109.993 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 544' ' ' ASP . 0.6 OUTLIER -101.77 138.93 38.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.817 0.341 . . . . 0.0 110.815 -179.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -153.9 136.44 15.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.344 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.65 133.72 34.92 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.786 0.327 . . . . 0.0 110.242 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.563 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -69.53 -19.57 63.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.045 0.45 . . . . 0.0 110.048 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . . . . . . . . . 19.0 m -81.65 -9.38 59.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.186 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 85.0 p -90.99 10.7 25.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.785 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 61.6 mt -86.44 -175.31 5.42 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.251 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.511 ' O ' ' N ' ' A' ' 554' ' ' THR . 3.6 m-20 -131.12 134.68 46.79 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.658 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.488 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 0.9 OUTLIER -39.78 -47.69 2.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -178.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 6.9 m -68.68 -29.46 67.91 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.627 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 551' ' ' ASP . 50.1 m -86.27 -23.34 26.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 551' ' ' ASP . 55.5 t -70.55 -29.62 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.394 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . 0.692 ' NH1' HE22 ' A' ' 559' ' ' GLN . 33.1 mmt-85 -74.66 -29.73 61.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.4 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -82.06 -23.7 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.726 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.402 HD22 HG23 ' A' ' 526' ' ' ILE . 48.7 mt -81.7 -64.85 1.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.641 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . 0.692 HE22 ' NH1' ' A' ' 556' ' ' ARG . 14.6 mt-30 -43.85 -26.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . 0.48 ' C ' ' N ' ' A' ' 562' ' ' LEU . 25.6 p -63.51 -48.25 78.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.751 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -48.97 -12.22 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.434 -0.507 . . . . 0.0 110.477 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . 0.48 ' N ' ' C ' ' A' ' 560' ' ' SER . 27.2 mt -105.39 -34.48 7.82 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 58.82 88.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . 0.526 ' CB ' HH12 ' A' ' 513' ' ' ARG . 10.6 t -148.72 141.49 24.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.474 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 11.9 t 58.25 55.3 5.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.585 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -69.07 -80.98 0.22 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 50.7 p -62.25 148.76 43.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.733 0.302 . . . . 0.0 110.624 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.52 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . 0.435 ' C ' ' H ' ' B' ' 878' ' ' LYS . 52.6 m . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' B' ' 878' ' ' LYS . 17.5 t-20 -78.63 22.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.671 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.445 ' O ' ' O ' ' B' ' 877' ' ' ASN . 93.4 mttt 56.57 149.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.969 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . 0.553 HD22 ' CG ' ' A' ' 511' ' ' HIS . 12.9 mt -137.99 86.99 16.98 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -80.8 128.56 6.74 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 121.472 1.448 . . . . 0.0 111.081 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 84.7 t -126.35 107.05 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 19.9 m -97.92 126.54 43.37 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.928 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.5 143.5 41.67 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.24 131.42 26.64 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.765 1.643 . . . . 0.0 111.582 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . 0.477 HD21 ' C ' ' A' ' 542' ' ' THR . 48.2 mt -60.59 -13.62 15.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.626 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -71.87 -24.06 61.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.79 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 73.5 m -86.72 -12.73 47.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.34 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . 0.425 ' O ' ' O ' ' B' ' 885' ' ' LEU . 7.4 m -139.82 -172.58 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-O 121.063 0.459 . . . . 0.0 110.158 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 16.5 t -140.72 130.28 26.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 72.9 mt -84.7 146.2 46.05 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.131 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -76.59 177.54 8.7 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.256 1.971 . . . . 0.0 111.898 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 14.3 m -78.95 147.8 32.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.339 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -172.95 143.93 1.23 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.43 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -159.77 -58.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.606 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 57.93 80.64 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.561 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' B' ' 897' ' ' ALA . 38.2 ptt180 -66.23 -171.7 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.597 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . 0.418 ' O ' ' O ' ' B' ' 896' ' ' ARG . . . 53.94 167.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.602 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -69.13 91.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.535 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 16.7 t -160.4 75.21 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.045 -0.979 . . . . 0.0 110.528 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 502' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -58.69 -5.85 0.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 500' ' ' ASP . . . -63.22 -48.26 79.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.702 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -44.82 -61.51 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.417 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.582 ' N ' HD12 ' A' ' 504' ' ' LEU . 10.1 mp -44.6 -47.87 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.648 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -53.04 -41.63 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.716 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' GLU . . . . . 0.426 ' O ' HD13 ' A' ' 510' ' ' LEU . 57.1 mt-10 -61.49 -25.21 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.728 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 11.0 mt -85.13 -43.0 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.56 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' VAL . . . . . . . . . . . . . 95.9 t -57.28 -61.75 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.963 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -49.08 -54.6 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.063 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 506' ' ' GLU . 4.6 mp -51.64 -47.27 63.78 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -59.36 -48.36 81.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.235 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.528 ' CA ' ' HE ' ' A' ' 512' ' ' ARG . 0.0 OUTLIER -53.32 -56.59 15.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.513 -179.392 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -65.8 -35.5 80.87 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.519 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.94 -44.99 94.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.94 0.4 . . . . 0.0 110.454 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' A' ' 515' ' ' MET . 1.6 tmt? -53.9 -38.21 64.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.611 -178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' THR . . . . . . . . . . . . . 65.7 p -92.2 -23.5 19.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.657 0.265 . . . . 0.0 110.443 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 519' ' ' GLU . 41.8 tp -53.51 125.12 16.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.332 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.26 -24.26 12.35 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.819 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' GLU . . . . . 0.545 ' OE1' ' N ' ' A' ' 521' ' ' HIS . 0.9 OUTLIER -39.66 100.69 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.593 -179.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -72.76 -31.76 65.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.31 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' HIS . . . . . 0.545 ' N ' ' OE1' ' A' ' 519' ' ' GLU . 11.2 t-80 -57.14 -37.68 72.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.108 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 11.7 mm -80.17 -51.99 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.938 0.399 . . . . 0.0 111.154 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 527' ' ' VAL . 6.2 mp -45.77 -27.62 0.88 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.661 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -76.71 -44.46 33.37 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.7 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -63.51 -50.82 68.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ILE . . . . . 0.49 HG23 HD21 ' A' ' 558' ' ' LEU . 96.7 mt -56.63 -59.65 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.738 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 523' ' ' LEU . 55.8 t -41.9 -61.98 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.713 -178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -52.69 -23.85 7.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.299 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.453 ' C ' HD13 ' A' ' 529' ' ' LEU . 0.3 OUTLIER -72.52 -63.04 1.24 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.754 0.311 . . . . 0.0 110.479 -179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 531' ' ' GLU . 30.2 pt -67.38 -37.15 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.276 0.56 . . . . 0.0 110.25 -179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . 0.446 ' N ' HG13 ' A' ' 530' ' ' ILE . 14.8 tm-20 -54.21 -48.78 70.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -64.19 -30.98 72.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.325 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' THR . . . . . . . . . . . . . 8.7 m -69.41 -51.37 37.08 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.325 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' GLY . . . . . . . . . . . . . . . 125.41 -24.39 5.88 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -73.31 55.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.518 0.192 . . . . 0.0 111.518 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -147.43 158.29 43.92 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.09 0.472 . . . . 0.0 110.728 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -135.55 146.56 48.15 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.578 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 79.6 mt -138.71 133.58 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.465 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' THR . . . . . 0.495 HG23 HD21 ' A' ' 540' ' ' ASN . 0.7 OUTLIER -143.08 163.39 32.97 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.425 -179.711 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.495 HD21 HG23 ' A' ' 539' ' ' THR . 1.3 p30 38.92 -95.96 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.635 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 539' ' ' THR . 43.9 p -151.54 77.5 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.409 179.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' THR . . . . . 0.454 ' C ' HD21 ' B' ' 885' ' ' LEU . 0.1 OUTLIER -172.85 165.9 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.602 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -124.49 100.21 6.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.809 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -105.63 143.44 33.79 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.006 0.431 . . . . 0.0 111.27 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.05 147.8 24.39 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.013 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -99.07 146.32 26.2 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 547' ' ' LEU . 1.2 mm? -79.42 -13.6 59.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.063 0.459 . . . . 0.0 109.986 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' CYS . . . . . 0.42 ' O ' ' SG ' ' A' ' 548' ' ' CYS . 13.1 t -88.59 -13.84 39.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.648 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' SER . . . . . . . . . . . . . 5.0 t -89.86 11.88 18.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.373 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' LEU . . . . . . . . . . . . . 69.2 mt -81.02 141.35 34.47 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.314 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 554' ' ' THR . 28.6 m-20 -84.21 143.95 29.26 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.459 ' H ' ' CD ' ' A' ' 552' ' ' LYS . 4.6 mptp? -40.3 -54.16 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.731 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 7.4 m -65.83 -26.6 67.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.304 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 551' ' ' ASP . 84.7 m -83.13 -22.01 33.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.562 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 551' ' ' ASP . 52.4 t -68.04 -44.3 84.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -65.94 -29.87 70.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.099 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -79.1 -30.52 43.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.971 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.49 HD21 HG23 ' A' ' 526' ' ' ILE . 0.2 OUTLIER -69.06 -64.57 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.169 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -50.66 -27.79 7.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.504 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' SER . . . . . . . . . . . . . 5.9 t -68.95 -55.63 10.33 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -45.93 -57.64 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.306 . . . . 0.0 110.718 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.54 -49.5 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.72 -62.56 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.652 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' THR . . . . . . . . . . . . . 41.5 p -45.06 146.47 0.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.703 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' SER . . . . . . . . . . . . . 17.8 m 46.6 51.13 12.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.484 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.84 38.54 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' THR . . . . . . . . . . . . . 21.8 p -61.39 154.63 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 110.52 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' SER . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.599 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 876' ' ' THR . . . . . 0.488 ' C ' ' H ' ' B' ' 878' ' ' LYS . 56.9 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 877' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -73.36 38.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.0 0.429 . . . . 0.0 110.558 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 878' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' B' ' 876' ' ' THR . 22.6 mtpp -148.78 156.8 42.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.823 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 879' ' ' LEU . . . . . . . . . . . . . 18.6 mt -141.39 88.16 10.07 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 880' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.79 140.35 14.55 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 121.549 1.499 . . . . 0.0 113.175 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 881' ' ' VAL . . . . . . . . . . . . . 47.1 t -134.38 106.34 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.958 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 882' ' ' SER . . . . . . . . . . . . . 18.0 p -92.14 130.07 37.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 883' ' ' ILE . . . . . . . . . . . . . 75.6 mt -123.78 113.83 28.52 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 884' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -43.8 130.83 7.77 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.621 1.547 . . . . 0.0 112.087 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 885' ' ' LEU . . . . . 0.454 HD21 ' C ' ' A' ' 542' ' ' THR . 35.0 mt -60.17 -13.69 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.561 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 886' ' ' ALA . . . . . . . . . . . . . . . -77.78 -23.29 49.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.738 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 887' ' ' SER . . . . . . . . . . . . . 29.1 t -87.26 -14.54 40.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.415 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 888' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.21 -170.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 121.03 0.443 . . . . 0.0 110.071 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 889' ' ' VAL . . . . . . . . . . . . . 6.1 t -140.47 130.49 28.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.177 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 890' ' ' LEU . . . . . . . . . . . . . 51.5 mt -87.8 112.65 50.25 Favored Pre-proline 0 CA--C 1.537 0.478 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.477 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 891' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -42.85 114.36 0.42 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.824 1.682 . . . . 0.0 112.136 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 892' ' ' SER . . . . . . . . . . . . . 13.8 p -51.99 -17.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.716 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 893' ' ' ARG . . . . . . . . . . . . . 69.5 mtm-85 -77.96 65.51 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.653 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 894' ' ' ALA . . . . . . . . . . . . . . . -80.22 -85.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.514 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 895' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -169.61 -32.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 896' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' B' ' 897' ' ' ALA . 42.1 ttp85 -47.7 136.65 10.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.624 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 897' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' B' ' 896' ' ' ARG . . . 48.38 -176.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.6 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 898' ' ' ARG . . . . . . . . . . . . . 74.9 mtm-85 48.18 80.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.638 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 899' ' ' SER . . . . . . . . . . . . . 68.8 m -63.68 94.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 900' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.58 179.974 . . . . . . . . 0 0 . 1 stop_ save_