data_1va1_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 1va1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.53 101.88 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 28.6 mm -112.05 146.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -66.11 96.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -59.32 -30.28 68.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.6 129.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -63.45 106.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 156.41 -53.08 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.592 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -82.78 -168.43 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.32 38.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.256 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.408 ' HE2' ' CE2' ' A' ' 548' ' ' TYR . 14.2 ptmt -96.24 -172.14 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.976 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.37 140.39 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.408 ' CE2' ' HE2' ' A' ' 546' ' ' LYS . 7.6 m-85 -136.5 154.95 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.79 -28.74 2.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.751 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.16 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -70.56 -31.62 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 8.6 t -57.28 -30.6 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -28.33 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -45.16 83.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -51.68 68.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.16 -32.66 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -79.67 -33.34 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -38.87 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.87 67.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -34.12 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -71.85 -45.84 60.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -86.53 120.42 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 23.4 mm -123.36 139.79 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.422 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.0 OUTLIER -65.31 91.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.804 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.35 -29.53 67.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.75 126.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.14 103.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 161.77 -58.18 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -78.4 -171.79 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.993 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 179.65 36.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.276 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.418 ' HE3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -96.84 -171.52 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.95 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.74 121.02 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.418 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 1.7 m-85 -127.79 154.93 44.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.21 36.17 2.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 124.2 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -44.21 67.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 12.3 p -56.62 -33.05 65.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.793 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -30.59 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.715 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -58.43 -39.52 80.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -75.24 -34.62 61.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.437 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 5.2 t60 -75.89 -32.91 59.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -44.86 89.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.998 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -59.16 -29.95 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -40.55 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.437 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 29.2 m-70 -64.16 -43.89 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -90.23 108.88 20.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 41.4 mt -124.04 142.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 120.2 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.794 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -115.96 51.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 561' ' ' HIS . 1.4 pt -112.75 36.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 46.42 33.67 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -148.94 -69.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.75 -174.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -169.81 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.35 138.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 553' ' ' HIS . 1.1 m-85 -147.32 154.72 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.63 23.85 3.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.635 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 120.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -36.48 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 37.7 m -58.83 -33.22 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 17.0 m80 -73.78 -28.76 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -42.71 78.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.51 -50.93 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.73 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.14 -35.74 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -37.83 81.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -59.22 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -46.59 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.409 ' CE1' HD13 ' A' ' 541' ' ' ILE . 64.0 m-70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 548' ' ' TYR . 0.8 OUTLIER -106.01 119.74 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 26.1 mm -130.97 157.74 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 3.4 t -66.82 109.69 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -27.41 62.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.9 mt -82.96 145.77 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.9 61.21 2.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -123.49 -75.11 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.502 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 17.5 p -107.79 -168.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -145.77 34.14 1.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.387 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -71.93 -171.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.7 t -147.62 154.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.446 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 0.2 OUTLIER -144.59 155.01 43.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.38 -65.74 2.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.825 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 164.23 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.255 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 2.9 m -61.16 -26.02 67.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -27.57 46.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -75.44 -28.14 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 35.0 tp -56.72 -41.81 78.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -51.63 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.058 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.56 -32.69 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -79.06 -39.23 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.61 -42.91 99.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.039 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.16 -29.75 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.0 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.45 -30.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -121.24 109.14 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 9.9 mt -102.55 141.86 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -60.47 121.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -96.8 33.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 39.3 mm -123.74 151.79 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -75.72 77.33 2.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.34 -42.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.757 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.6 OUTLIER -104.16 175.04 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 111.085 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -172.12 33.37 0.13 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.232 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -94.84 -171.7 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.25 123.8 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.9 p90 -149.68 100.58 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.27 59.54 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -149.16 113.09 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 7.0 m -62.58 -41.55 99.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.4 p -58.44 -36.58 73.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -29.31 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.93 -37.86 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.1 -36.79 58.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -75.43 -31.57 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.6 -38.5 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.355 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -29.96 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.039 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -44.67 70.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 544' ' ' CYS . 44.9 m-70 -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -78.39 110.24 13.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.04 140.92 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -27.27 63.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.36 150.7 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 101.35 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 159.49 -60.76 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.608 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -172.91 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.97 38.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.397 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.67 -171.65 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.3 t -135.58 124.7 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.45 154.86 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.69 34.68 2.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -148.56 124.51 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.6 t -70.3 -35.9 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 4.2 m -58.62 -33.8 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -75.93 -28.83 58.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.68 -33.26 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 12.5 ptt180 -63.53 -47.26 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.66 -32.51 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.23 -38.07 36.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.79 -44.27 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -59.13 -29.97 67.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -37.05 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -68.97 -43.65 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.84 121.63 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.01 144.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.9 OUTLIER -68.9 97.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -26.81 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.06 151.56 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -77.73 105.0 8.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 151.89 -63.94 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -82.5 175.64 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.63 35.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -171.56 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.06 158.92 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 553' ' ' HIS . 3.1 m-85 -151.4 154.92 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -110.18 -26.3 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.664 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -122.57 140.44 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 -30.01 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -55.3 -28.43 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.686 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 12.5 m170 -75.2 -27.37 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.577 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 8.1 ptt85 -64.03 -47.0 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.75 -33.17 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.449 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 3.1 t60 -79.17 -37.16 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.4 -45.38 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -59.05 -29.89 67.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -70.73 -31.84 68.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.449 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 17.9 m-70 -72.8 -45.84 56.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.06 116.44 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -114.31 148.13 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 116.92 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.09 25.02 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 49.9 mm -122.02 150.07 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.786 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 64.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.722 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -133.39 -80.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.597 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.4 -172.6 2.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 111.027 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -143.01 38.7 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -67.92 -172.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.35 135.4 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -147.47 146.48 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -103.07 32.19 7.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.57 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -149.15 117.5 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.8 p -59.17 -29.46 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.0 -32.42 59.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.94 -43.47 81.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -59.28 -51.69 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.12 -33.97 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.417 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 7.5 t60 -79.38 -38.18 35.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -43.7 93.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -59.15 -29.91 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -38.49 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -65.77 -44.27 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -120.34 103.26 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.44 152.22 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.0 OUTLIER -74.29 114.2 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.84 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.75 151.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.208 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -82.82 58.75 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -164.44 -51.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.9 OUTLIER -90.36 176.0 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.89 41.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.691 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -170.53 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.727 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.6 136.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -132.99 151.57 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.21 14.16 65.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.718 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -149.21 131.36 15.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.3 t -68.88 -29.09 67.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 33.4 m -56.16 -32.18 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -28.25 63.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -43.33 80.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.736 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -51.75 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.7 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -79.72 -34.8 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.74 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -29.84 67.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -33.46 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.685 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -72.39 -45.65 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -109.89 99.82 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.69 143.91 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.1 m -78.5 104.98 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -58.8 -31.57 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.418 HD12 ' CE1' ' A' ' 561' ' ' HIS . 3.7 mt -59.55 116.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.89 89.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 167.65 -48.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.59 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.71 -178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 167.67 49.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.429 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -79.71 -35.66 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.6 t 57.12 87.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.015 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.423 ' CE2' ' HE3' ' A' ' 546' ' ' LYS . 14.8 m-85 -99.71 154.9 17.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -99.78 32.94 6.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -149.15 127.11 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 12.5 p -70.51 -34.37 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.8 m -56.92 -31.63 65.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -28.37 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.631 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.57 -36.49 83.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 3.9 ptm180 -66.07 -46.83 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.5 -32.56 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.429 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 10.4 t60 -77.96 -37.73 46.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.12 -40.4 85.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 1.4 ppt_? -59.09 -29.86 67.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -67.63 -46.25 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.418 ' CE1' HD12 ' A' ' 541' ' ' ILE . 48.4 m-70 -59.87 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.71 104.77 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.7 mp -103.45 145.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.14 98.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -56.85 -28.51 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.05 150.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -81.59 59.35 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -120.82 -79.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.599 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 15.8 p -115.79 -165.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -159.15 60.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -77.55 -35.44 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.974 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 74.7 t 53.71 86.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -98.33 154.91 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.11 28.47 13.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.27 127.75 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.2 t -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 44.5 m -58.29 -33.09 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -75.98 -29.39 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.59 -35.21 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 7.6 ptt180 -63.3 -46.51 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -65.19 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.461 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 8.7 t60 -73.7 -40.06 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.98 -46.38 89.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -59.13 -29.98 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -35.78 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.461 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 19.7 m-70 -68.0 -39.96 83.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.808 0.337 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 107.85 15.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.82 141.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.96 122.68 9.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 35.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.0 153.3 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.049 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -74.11 83.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 169.76 -42.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.741 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.75 173.14 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 111.064 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.39 33.94 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.73 -171.51 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 26.1 t -124.04 158.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -158.35 154.96 27.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.37 19.73 5.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.724 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -149.14 131.5 15.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -69.12 -37.72 78.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -31.51 61.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.471 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -73.71 -27.6 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.04 -36.87 80.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.609 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.543 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.68 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.543 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.23 -37.36 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.66 -29.66 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.91 -37.29 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -46.78 66.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -59.58 -42.84 93.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -102.25 103.89 14.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 7.1 mt -111.99 134.95 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 93.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -57.1 -25.08 58.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.43 161.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.048 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -69.53 -9.85 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.629 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . 0.402 ' HA3' ' CE1' ' A' ' 561' ' ' HIS . . . -53.75 -101.1 0.01 OUTLIER Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.832 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.7 -168.16 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -146.65 29.78 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -171.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.66 157.54 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -159.08 154.97 26.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -122.9 18.0 8.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.661 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -149.2 133.38 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.4 t -67.69 -34.06 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -31.76 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.74 -28.04 61.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.432 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.668 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.07 -36.5 84.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.508 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.94 -44.53 39.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.822 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 11.9 t60 -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.45 -46.41 69.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.007 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -59.42 -29.97 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -33.74 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 21.3 m-70 -70.89 -33.71 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.971 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 548' ' ' TYR . 2.0 m-70 -84.45 117.21 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.67 146.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 121.18 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -96.83 29.54 3.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.588 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.71 150.7 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.1 66.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -131.64 -82.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.5 p -119.08 -165.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -151.82 47.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.425 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -81.44 -172.35 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 25.0 t -155.02 133.45 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 537' ' ' HIS . 0.3 OUTLIER -145.21 148.32 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -100.67 30.98 9.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -149.11 123.37 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.6 m -58.94 -29.59 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 2.3 m -56.23 -32.79 64.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.722 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -30.93 58.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.187 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.26 -36.59 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.459 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.555 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -68.57 -38.75 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.555 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.11 -41.89 60.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.452 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 12.9 t60 -74.03 -33.06 63.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.22 -45.92 82.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.05 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.779 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -40.41 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.452 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 24.7 m-70 -63.93 -45.87 87.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -113.03 104.7 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 22.3 mm -91.69 151.76 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.66 118.32 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . 0.449 ' CE1' ' CD1' ' A' ' 541' ' ' ILE . 9.4 p80 -58.07 -28.72 64.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 540' ' ' HIS . 2.6 mt -85.95 124.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.0 108.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 154.75 -58.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -167.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.45 58.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -34.94 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 75.8 t 54.17 82.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.38 154.93 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.11 -22.64 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.641 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.99 126.46 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 39.6 p -70.55 -27.78 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.4 p -55.31 -31.05 61.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -28.47 57.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -33.64 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -62.77 -42.5 99.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.59 59.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -73.96 -31.87 63.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -38.63 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.073 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -59.13 -29.84 67.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -47.21 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -59.35 -45.5 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -105.13 120.57 41.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.58 155.81 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.07 123.9 18.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -64.23 -30.38 71.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.423 HD12 ' CE1' ' A' ' 561' ' ' HIS . 2.5 pt -79.97 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.7 -21.28 59.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.294 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -50.33 -57.11 10.79 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.898 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 86.8 m -90.26 -176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.93 38.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -171.23 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.69 138.06 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -157.37 125.15 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.11 46.17 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -149.15 121.66 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 27.8 m -64.19 -42.27 96.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -31.17 61.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.4 . . . . 0.0 110.525 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.24 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.108 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 5.0 tt -70.1 -37.61 75.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.4 OUTLIER -65.73 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.93 -32.95 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -78.99 -30.44 44.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.4 -39.32 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.1 -29.8 67.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.404 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 9.0 m95 -69.85 -34.69 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.423 ' CE1' HD12 ' A' ' 541' ' ' ILE . 53.0 m-70 -74.09 -41.77 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -102.76 99.83 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 30.8 mt -80.09 149.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.21 147.77 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -67.37 -51.2 55.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.3 pt -68.79 154.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -87.01 56.31 3.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -145.63 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.672 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.52 47.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -84.7 -37.5 20.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.4 t 57.04 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.412 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 2.7 m-85 -104.5 154.94 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -92.5 17.27 57.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.715 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.15 126.67 11.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.56 -28.31 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -31.95 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -30.58 58.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.13 -30.6 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 5.0 ptm180 -60.33 -46.46 89.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.708 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -71.15 -32.53 69.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.42 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 16.8 t60 -75.22 -36.69 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -42.89 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.3 OUTLIER -59.06 -29.64 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.743 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.409 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.5 OUTLIER -65.81 -43.63 88.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -63.19 -45.87 89.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.0 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.954 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.12 102.11 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.8 mp -91.18 128.29 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.1 m -78.18 106.19 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -95.88 40.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.437 . . . . 0.0 110.555 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.1 mt -124.66 123.52 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.283 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.23 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -177.17 39.83 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.613 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.671 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.8 35.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -170.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.48 157.37 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -159.13 154.9 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.87 17.27 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.713 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.15 128.49 12.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -30.44 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.3 m -56.75 -31.62 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -75.99 -31.14 58.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.537 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -34.57 74.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.6 OUTLIER -59.67 -38.83 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.04 -53.93 7.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -60.74 -27.09 67.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.89 -34.77 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -61.51 -31.63 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -46.43 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -58.81 -32.21 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.969 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.843 0.354 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -90.62 115.17 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 1.6 mt -122.19 137.74 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 123.09 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.975 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 30.41 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 5.4 mt -121.44 138.5 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 84.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 175.8 -59.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.591 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.25 -175.17 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.08 38.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.207 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.47 -168.78 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.14 94.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.07 154.91 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -124.98 39.36 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -149.11 113.4 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.0 t -66.1 -39.87 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.8 m -59.18 -32.84 70.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.738 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.62 -30.17 59.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.09 -30.48 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 9.7 ptp180 -57.15 -46.32 82.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -73.65 -32.84 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.62 -34.06 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.7 mt -68.69 -44.01 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.07 -29.9 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.033 -179.754 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.418 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -69.53 -30.35 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.765 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.96 -36.55 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -86.6 99.96 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.93 149.37 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.01 104.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -58.06 -30.95 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.3 159.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -92.14 36.52 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -98.9 -67.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 23.8 p -111.06 -169.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -152.62 41.31 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -83.95 -170.79 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.6 159.41 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -157.18 155.01 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.64 -26.39 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.6 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -119.28 138.36 53.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.005 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 31.8 p -63.28 -27.79 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.3 t -55.14 -28.79 55.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.775 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -75.85 -28.7 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -34.84 74.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.0 OUTLIER -62.18 -48.02 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.415 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -62.57 -34.67 77.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.443 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 17.7 t60 -76.68 -40.46 48.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.819 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.68 93.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.989 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -59.13 -29.99 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -31.96 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.443 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 22.4 m-70 -73.24 -30.01 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -122.9 99.91 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.9 151.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.21 121.36 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.18 -29.05 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 41.6 mm -82.66 151.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -90.41 78.63 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -169.32 -45.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.578 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 72.5 m -87.74 -175.41 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -179.37 54.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.312 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.86 -35.24 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.2 t 48.35 88.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' A' ' 546' ' ' LYS . 20.3 m-85 -102.91 154.95 18.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.72 32.08 6.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -149.13 128.85 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.83 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -56.03 -31.63 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -76.05 -28.66 57.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.12 -37.77 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.52 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.403 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -75.96 -34.06 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 20.1 t60 -79.68 -31.55 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.31 -37.8 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.84 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.816 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -62.83 -45.91 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 34.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.996 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.413 ' CD2' HD12 ' A' ' 554' ' ' LEU . 6.5 m-70 -116.89 100.3 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 26.5 mm -76.04 128.27 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.55 113.61 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -97.57 32.92 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 8.4 mt -128.73 127.89 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.223 -179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 59.47 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.68 33.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.727 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 179.831 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 165.87 45.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.604 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.418 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.47 -35.76 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 84.7 t 49.76 96.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.412 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.13 155.01 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -93.17 25.7 18.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.703 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -142.75 113.04 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -36.16 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -30.25 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -27.92 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 537' ' ' HIS . 1.7 tp -62.28 -36.92 83.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -62.39 -46.55 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 559' ' ' ARG . . . -68.18 -32.63 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.418 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 5.0 t60 -75.86 -30.68 58.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.458 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -36.37 83.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -40.74 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -65.69 -45.87 81.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 548' ' ' TYR . 0.3 OUTLIER -102.45 129.75 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 27.5 mm -131.33 148.81 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -67.42 111.37 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.13 -30.23 67.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 38.0 mm -70.34 152.25 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -85.37 111.66 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 146.22 -43.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.678 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -89.32 175.43 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.921 -179.831 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -167.32 30.75 0.19 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -172.42 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.78 132.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -134.14 126.05 29.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -63.79 -30.95 79.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.724 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.63 127.96 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.7 p -66.55 -25.96 66.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.0 t -55.11 -26.95 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -75.93 -28.54 58.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 69.0 tp -63.63 -42.53 98.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.7 ptp180 -64.26 -45.94 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -70.5 -32.59 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -77.01 -37.48 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.24 -40.35 85.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.415 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 2.9 t-105 -67.15 -46.45 74.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -59.75 -37.24 78.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 548' ' ' TYR . 9.1 p80 -121.38 147.6 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.52 152.44 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -75.18 97.8 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -64.26 -28.42 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.17 133.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.95 105.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 153.23 -64.14 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.588 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -85.5 176.23 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -175.29 44.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.604 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -91.88 -172.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.781 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . 0.412 ' O ' ' CD1' ' A' ' 548' ' ' TYR . 26.3 t -155.19 141.01 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.243 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.422 ' HB2' ' CE1' ' A' ' 537' ' ' HIS . 24.0 m-85 -146.7 155.0 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -94.91 24.82 26.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.688 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 126.17 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 65.4 p -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -55.27 -27.6 47.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.574 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 -27.0 58.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.084 179.069 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 537' ' ' HIS . 14.2 tp -68.18 -36.18 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.569 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.559 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.94 -38.87 92.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.915 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.559 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.33 -34.93 58.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.667 179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . 0.419 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 5.8 t60 -75.46 -31.51 60.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.53 -42.77 95.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 1.2 ptm180 -59.19 -29.73 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . 0.422 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 1.3 t-105 -68.16 -45.02 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.77 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.46 -37.54 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.43 136.68 52.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.6 140.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.7 OUTLIER -59.33 113.69 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . 0.455 ' CD1' ' CE1' ' A' ' 561' ' ' HIS . 1.2 pp -63.5 157.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -86.82 79.93 8.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 178.24 -46.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.609 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -93.87 175.61 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.792 -179.906 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -174.98 35.99 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.589 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -171.77 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.39 126.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.4 p90 -159.0 117.19 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.91 54.54 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.605 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 122.53 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 24.5 p -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 552' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 79.6 p -56.51 -35.74 68.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 110.631 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.12 -30.43 58.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.296 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.24 -33.34 67.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.555 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.538 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 4.5 ptm180 -71.75 -39.34 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.538 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.99 -32.57 59.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -79.54 -32.47 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 9.1 mt -63.98 -40.86 97.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -59.08 -29.79 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.59 -35.65 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.455 ' CE1' ' CD1' ' A' ' 541' ' ' ILE . 39.3 m-70 -72.09 -33.21 67.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.999 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -95.15 99.88 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.88 133.8 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -59.79 112.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 53.2 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 24.3 mt -143.58 141.82 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.0 73.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -174.51 -52.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.742 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.7 OUTLIER -98.94 175.31 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.0 -179.742 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -170.38 37.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -171.51 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 16.1 t -137.78 141.77 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.87 154.98 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.29 16.9 14.76 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.729 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.14 134.17 18.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -33.95 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.9 p -55.42 -31.17 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.93 -28.35 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.45 179.469 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.96 -35.51 80.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.64 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.3 OUTLIER -62.46 -37.27 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.888 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.513 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.12 -45.16 35.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.27 -29.45 66.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.48 -38.04 86.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.21 -31.96 69.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.936 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -71.64 -32.6 68.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -73.15 -28.62 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -90.29 117.3 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.765 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 5.2 mt -121.19 149.95 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.5 OUTLIER -69.69 99.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.65 -29.96 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.2 mt -62.26 120.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.73 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 172.59 -56.55 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.579 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -70.94 -172.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.071 -179.896 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.94 35.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.286 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -97.01 -171.8 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.88 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 136.41 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -148.51 143.31 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.78 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -104.42 32.99 6.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.561 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 126.13 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 22.3 m -59.87 -32.77 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 552' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 19.2 m -55.96 -30.46 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.465 179.627 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.18 -32.69 59.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.903 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 537' ' ' HIS . 34.1 tp -69.64 -41.42 75.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.226 179.356 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 552' ' ' SER . 11.1 ptt180 -67.95 -40.07 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.402 ' O ' ' CG ' ' A' ' 559' ' ' ARG . . . -74.58 -32.58 62.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.795 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -75.57 -30.65 59.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.71 -38.07 88.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -59.17 -29.78 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.892 -179.819 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -43.89 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . 0.455 ' O ' ' CG2' ' A' ' 562' ' ' THR . 49.2 m-70 -62.84 -37.07 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 562' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 561' ' ' HIS . 8.1 t . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.56 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -111.72 113.53 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.52 141.05 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 94.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -59.45 -27.3 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.37 144.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.18 64.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -127.93 -76.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -112.94 -167.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -153.76 45.69 0.57 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.263 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -172.48 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.55 136.22 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.16 123.35 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.12 42.34 2.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.05 126.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 78.0 p -63.61 -39.83 95.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 552' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 0.2 OUTLIER -55.81 -31.51 62.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 179.798 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -26.49 56.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.248 179.334 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.44 -39.29 74.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.647 179.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.2 OUTLIER -65.67 -38.26 88.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.712 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -71.41 -34.2 70.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -77.16 -33.02 56.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.768 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -39.39 94.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -29.95 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.007 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -71.26 -35.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -71.36 -45.37 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 537' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 554' ' ' LEU . 3.3 m-70 -89.11 116.01 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.09 124.27 65.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.94 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -30.77 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.62 127.08 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.43 103.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 158.0 -65.1 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.556 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -167.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 173.43 39.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -169.89 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 22.6 t -153.11 125.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.196 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.13 154.93 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.97 23.89 20.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.15 133.82 17.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 551' ' ' THR . . . . . 0.404 ' HA ' ' NE2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -70.58 -32.05 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.4 m -56.1 -29.97 61.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.37 59.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 554' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -61.55 -41.17 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.8 179.741 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 555' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 10.7 ptt180 -61.84 -45.57 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 556' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.09 -34.27 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.214 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -79.98 -37.89 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.91 -41.82 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -58.97 -29.77 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -34.79 75.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.799 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -73.29 -46.01 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.802 0.334 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.408 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.1 OUTLIER -68.85 -60.68 4.22 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 58.9 Cg_endo -71.84 -174.89 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.513 2.142 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.04 -169.03 41.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.83 134.41 54.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.08 157.93 17.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -130.69 140.24 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.12 156.08 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.53 101.88 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 28.6 mm -112.05 146.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -66.11 96.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -59.32 -30.28 68.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.6 129.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -63.45 106.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 156.41 -53.08 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.592 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -82.78 -168.43 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.32 38.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.256 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.408 ' HE2' ' CE2' ' A' ' 548' ' ' TYR . 14.2 ptmt -96.24 -172.14 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.976 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.37 140.39 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.408 ' CE2' ' HE2' ' A' ' 546' ' ' LYS . 7.6 m-85 -136.5 154.95 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.79 -28.74 2.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.751 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.16 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -70.56 -31.62 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 8.6 t -57.28 -30.6 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -28.33 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -45.16 83.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -51.68 68.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.16 -32.66 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -79.67 -33.34 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -38.87 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.87 67.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -34.12 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -71.85 -45.84 60.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 29.8 p -77.51 -44.66 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -77.0 75.08 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -128.73 -46.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.846 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.78 0.324 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.65 111.23 8.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.55 114.23 3.42 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.422 2.081 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 120.59 120.75 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -98.46 140.84 32.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -140.57 165.19 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.7 mttt 60.64 158.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -97.51 -177.66 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p -97.31 36.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -160.16 34.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.06 175.66 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.806 0.336 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.86 105.77 14.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.22 -35.86 18.06 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.42 2.08 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.54 -102.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.566 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -107.48 157.3 18.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -152.91 140.52 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 138.48 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 60.07 -178.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -86.53 120.42 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 23.4 mm -123.36 139.79 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.422 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.0 OUTLIER -65.31 91.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.804 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.35 -29.53 67.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.75 126.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.14 103.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 161.77 -58.18 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.422 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -78.4 -171.79 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.993 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 179.65 36.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.276 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.418 ' HE3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -96.84 -171.52 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.95 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.74 121.02 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.418 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 1.7 m-85 -127.79 154.93 44.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.21 36.17 2.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 124.2 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -44.21 67.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 12.3 p -56.62 -33.05 65.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.793 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -30.59 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.715 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -58.43 -39.52 80.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -75.24 -34.62 61.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -75.89 -32.91 59.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -44.86 89.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.998 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -59.16 -29.95 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -40.55 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.16 -43.89 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.9 p -91.28 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 113.96 36.59 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -146.58 -48.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.321 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.862 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.848 0.356 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.95 112.35 5.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.9 98.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.479 2.119 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 162.67 -173.88 38.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 166.45 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.88 137.76 45.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -106.54 39.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -89.07 123.81 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -90.23 108.88 20.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 41.4 mt -124.04 142.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 120.2 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.794 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -115.96 51.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 561' ' ' HIS . 1.4 pt -112.75 36.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 46.42 33.67 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -148.94 -69.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.75 -174.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -169.81 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.35 138.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 553' ' ' HIS . 1.1 m-85 -147.32 154.72 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.63 23.85 3.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.635 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 120.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -36.48 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 37.7 m -58.83 -33.22 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 17.0 m80 -73.78 -28.76 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -42.71 78.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.51 -50.93 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.73 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.14 -35.74 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -37.83 81.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -59.22 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -46.59 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.409 ' CE1' HD13 ' A' ' 541' ' ' ILE . 64.0 m-70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.6 p -75.91 131.71 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 77.71 57.15 3.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.61 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.925 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.802 0.334 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.1 113.48 28.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.93 -33.35 61.58 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.356 2.037 . . . . 0.0 112.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 135.52 -162.19 24.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -120.47 142.76 48.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 137.98 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -78.46 117.62 19.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -133.64 148.27 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 548' ' ' TYR . 0.8 OUTLIER -106.01 119.74 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 26.1 mm -130.97 157.74 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 3.4 t -66.82 109.69 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -27.41 62.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.9 mt -82.96 145.77 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.9 61.21 2.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -123.49 -75.11 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.502 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 17.5 p -107.79 -168.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -145.77 34.14 1.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.387 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -71.93 -171.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.7 t -147.62 154.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.446 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 0.2 OUTLIER -144.59 155.01 43.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.38 -65.74 2.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.825 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 164.23 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.255 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 2.9 m -61.16 -26.02 67.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -27.57 46.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -75.44 -28.14 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 35.0 tp -56.72 -41.81 78.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -51.63 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.058 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.56 -32.69 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -79.06 -39.23 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.61 -42.91 99.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.039 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.16 -29.75 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.0 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.45 -30.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.9 t -97.78 30.62 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -132.42 -93.78 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.429 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 63.02 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.714 0.293 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.421 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.4 OUTLIER -82.14 -52.38 0.73 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 44.2 Cg_exo -56.39 151.14 46.59 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.25 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -88.32 -52.73 2.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -147.0 123.46 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 168.15 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 62.53 157.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.26 126.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -121.24 109.14 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 9.9 mt -102.55 141.86 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.426 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -60.47 121.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -96.8 33.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 39.3 mm -123.74 151.79 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -75.72 77.33 2.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.34 -42.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.757 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.426 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.6 OUTLIER -104.16 175.04 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 111.085 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -172.12 33.37 0.13 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.232 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -94.84 -171.7 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.25 123.8 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.9 p90 -149.68 100.58 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.27 59.54 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -149.16 113.09 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 7.0 m -62.58 -41.55 99.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.4 p -58.44 -36.58 73.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -29.31 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 35.4 tp -65.93 -37.86 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.793 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.1 -36.79 58.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -75.43 -31.57 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.6 -38.5 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.355 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -29.96 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.039 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -44.67 70.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 544' ' ' CYS . 44.9 m-70 -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.2 p -80.11 87.99 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 111.75 135.27 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -146.24 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.867 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.798 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -157.76 121.61 2.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 101.5 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.88 -144.01 11.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -113.62 152.07 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.65 143.93 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 60.07 -178.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -113.01 143.7 43.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -78.39 110.24 13.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.04 140.92 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -27.27 63.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.36 150.7 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 101.35 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 159.49 -60.76 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.608 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -172.91 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.97 38.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.397 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.67 -171.65 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.3 t -135.58 124.7 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.45 154.86 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.69 34.68 2.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -148.56 124.51 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.6 t -70.3 -35.9 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 4.2 m -58.62 -33.8 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -75.93 -28.83 58.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.68 -33.26 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 12.5 ptt180 -63.53 -47.26 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.66 -32.51 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.23 -38.07 36.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.79 -44.27 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -59.13 -29.97 67.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -37.05 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -68.97 -43.65 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.7 p -75.7 -33.84 60.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -102.91 61.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.17 -58.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.76 93.6 2.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.07 -28.08 35.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.473 2.115 . . . . 0.0 112.266 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 96.01 -40.45 2.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.598 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -115.86 150.83 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 116.0 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -88.05 149.24 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -135.29 144.08 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.84 121.63 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.01 144.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.491 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.9 OUTLIER -68.9 97.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -26.81 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.06 151.56 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -77.73 105.0 8.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 151.89 -63.94 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -82.5 175.64 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.63 35.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -171.56 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.06 158.92 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 553' ' ' HIS . 3.1 m-85 -151.4 154.92 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -110.18 -26.3 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.664 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -122.57 140.44 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 -30.01 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -55.3 -28.43 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.686 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . 0.414 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 12.5 m170 -75.2 -27.37 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.577 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 8.1 ptt85 -64.03 -47.0 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.75 -33.17 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -79.17 -37.16 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -60.4 -45.38 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -59.05 -29.89 67.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -70.73 -31.84 68.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -72.8 -45.84 56.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.1 t -72.49 108.02 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 104.22 102.37 2.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.26 174.89 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.403 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 1.0 OUTLIER -87.58 -52.88 0.4 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 50.4 Cg_exo -53.23 169.44 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 0.0 112.282 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 133.74 -52.27 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.542 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.01 166.35 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -89.21 166.02 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.61 160.75 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.42 131.91 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.06 116.44 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -114.31 148.13 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 116.92 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.09 25.02 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 49.9 mm -122.02 150.07 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.786 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 64.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.722 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -133.39 -80.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.597 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.4 -172.6 2.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 111.027 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -143.01 38.7 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -67.92 -172.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.35 135.4 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -147.47 146.48 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -103.07 32.19 7.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.57 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -149.15 117.5 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.8 p -59.17 -29.46 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.0 -32.42 59.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.94 -43.47 81.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -59.28 -51.69 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.12 -33.97 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.417 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 7.5 t60 -79.38 -38.18 35.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -43.7 93.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -59.15 -29.91 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -38.49 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -65.77 -44.27 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 25.6 p -69.49 104.48 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 109.78 77.46 0.95 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -111.52 -52.53 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.763 0.316 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 149.87 97.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.32 -55.77 3.52 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 0.0 112.263 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 106.95 85.0 1.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 139.3 31.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.51 156.51 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt 43.48 92.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.451 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -148.81 153.95 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -120.34 103.26 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.44 152.22 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.0 OUTLIER -74.29 114.2 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.84 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.75 151.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.208 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -82.82 58.75 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -164.44 -51.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.9 OUTLIER -90.36 176.0 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.89 41.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.691 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -170.53 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.727 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.6 136.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -132.99 151.57 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.21 14.16 65.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.718 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -149.21 131.36 15.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.3 t -68.88 -29.09 67.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 33.4 m -56.16 -32.18 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -28.25 63.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -43.33 80.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.736 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -51.75 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.7 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -79.72 -34.8 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.74 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -29.84 67.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -33.46 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.685 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -72.39 -45.65 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 12.4 p -84.41 117.76 23.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 105.54 28.19 5.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.87 -42.69 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.78 0.324 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.65 111.23 8.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.55 114.23 3.42 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.422 2.081 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 120.59 120.75 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -98.46 140.84 32.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -140.57 165.19 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.7 mttt 60.64 158.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -97.51 -177.66 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p -97.31 36.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -160.16 34.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.06 175.66 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -146.51 162.41 34.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 -39.71 69.57 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.597 2.198 . . . . 0.0 112.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -144.3 165.28 27.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 126.66 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -134.24 160.5 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -131.13 146.91 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.89 147.18 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -109.89 99.82 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.69 143.91 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.1 m -78.5 104.98 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -58.8 -31.57 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.418 HD12 ' CE1' ' A' ' 561' ' ' HIS . 3.7 mt -59.55 116.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.89 89.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 167.65 -48.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.59 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.71 -178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 167.67 49.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.429 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -79.71 -35.66 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.6 t 57.12 87.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.015 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.423 ' CE2' ' HE3' ' A' ' 546' ' ' LYS . 14.8 m-85 -99.71 154.9 17.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -99.78 32.94 6.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -149.15 127.11 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 12.5 p -70.51 -34.37 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.8 m -56.92 -31.63 65.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -28.37 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.631 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.6 tp -63.57 -36.49 83.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 3.9 ptm180 -66.07 -46.83 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.5 -32.56 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.429 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 10.4 t60 -77.96 -37.73 46.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.12 -40.4 85.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 1.4 ppt_? -59.09 -29.86 67.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -67.63 -46.25 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.418 ' CE1' HD12 ' A' ' 541' ' ' ILE . 48.4 m-70 -59.87 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.6 p -63.05 115.29 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 67.6 98.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 32.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.908 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.78 0.324 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.84 162.69 30.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 163.39 38.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.531 2.154 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.74 -72.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -132.79 113.13 12.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.94 154.59 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -120.53 103.89 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -172.91 131.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.71 104.77 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.7 mp -103.45 145.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.14 98.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -56.85 -28.51 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.05 150.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -81.59 59.35 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -120.82 -79.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.599 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 15.8 p -115.79 -165.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -159.15 60.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.42 ' HE2' ' CG ' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -77.55 -35.44 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.974 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 74.7 t 53.71 86.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -98.33 154.91 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.11 28.47 13.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.27 127.75 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.2 t -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 44.5 m -58.29 -33.09 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -75.98 -29.39 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.59 -35.21 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 7.6 ptt180 -63.3 -46.51 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -65.19 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.42 ' CG ' ' HE2' ' A' ' 546' ' ' LYS . 8.7 t60 -73.7 -40.06 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.98 -46.38 89.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -59.13 -29.98 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -35.78 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -68.0 -39.96 83.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.6 p 55.91 36.27 27.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 72.44 106.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -103.99 166.63 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.854 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.747 0.308 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.29 142.67 84.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.35 -177.44 2.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.504 2.136 . . . . 0.0 112.222 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 122.45 145.05 6.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 134.99 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -79.99 162.45 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -123.87 160.72 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -135.37 167.01 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 107.85 15.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.82 141.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.96 122.68 9.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 35.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 2.2 pp -127.0 153.3 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.049 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -74.11 83.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 169.76 -42.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.741 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.75 173.14 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 111.064 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.39 33.94 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.73 -171.51 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 26.1 t -124.04 158.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -158.35 154.96 27.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.37 19.73 5.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.724 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -149.14 131.5 15.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -69.12 -37.72 78.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -31.51 61.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.471 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -73.71 -27.6 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.04 -36.87 80.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.609 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.543 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.68 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.543 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.23 -37.36 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.66 -29.66 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.91 -37.29 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -46.78 66.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 59.8 m-70 -59.58 -42.84 93.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 75.0 p -75.35 -33.34 61.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -104.87 90.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.319 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.4 ptt-85 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.894 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.79 119.04 70.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 -28.5 36.01 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.357 2.038 . . . . 0.0 112.199 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.52 -121.59 5.86 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.99 134.39 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -130.32 120.02 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -146.79 122.17 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -153.2 136.84 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -102.25 103.89 14.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 7.1 mt -111.99 134.95 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 93.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -57.1 -25.08 58.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 1.4 mp -68.43 161.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.048 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 9.9 mp0 -69.53 -9.85 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.629 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . 0.402 ' HA3' ' CE1' ' A' ' 561' ' ' HIS . . . -53.75 -101.1 0.01 OUTLIER Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.832 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.7 -168.16 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -146.65 29.78 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -171.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.66 157.54 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.157 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -159.08 154.97 26.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -122.9 18.0 8.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.661 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -149.2 133.38 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.4 t -67.69 -34.06 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -31.76 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.74 -28.04 61.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.432 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.668 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.508 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.07 -36.5 84.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.508 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.94 -44.53 39.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.822 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.45 -46.41 69.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.007 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -59.42 -29.97 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -33.74 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.402 ' CE1' ' HA3' ' A' ' 543' ' ' GLY . 21.3 m-70 -70.89 -33.71 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 8.2 p 56.06 -178.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -74.37 101.17 1.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -142.79 -177.41 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 1.5 ptt85 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.889 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.834 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.4 t0 60.6 98.91 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.84 159.64 51.93 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.079 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 121.26 -160.52 15.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.424 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -80.96 140.27 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -115.75 156.64 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -131.09 177.63 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.03 152.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.422 ' HB2' ' CD1' ' A' ' 548' ' ' TYR . 2.0 m-70 -84.45 117.21 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.67 146.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 121.18 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -96.83 29.54 3.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.588 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.71 150.7 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.1 66.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -131.64 -82.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.5 p -119.08 -165.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -151.82 47.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.425 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -81.44 -172.35 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 25.0 t -155.02 133.45 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 537' ' ' HIS . 0.3 OUTLIER -145.21 148.32 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -100.67 30.98 9.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -149.11 123.37 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.6 m -58.94 -29.59 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.404 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 2.3 m -56.23 -32.79 64.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.722 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -30.93 58.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.187 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.26 -36.59 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.459 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.555 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -68.57 -38.75 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.555 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.11 -41.89 60.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.425 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 12.9 t60 -74.03 -33.06 63.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.22 -45.92 82.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.05 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.779 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -40.41 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -63.93 -45.87 87.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 10.5 t -78.72 138.0 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 87.05 54.65 2.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -114.12 -37.87 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.1 127.79 56.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -61.84 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.397 2.064 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 142.05 -71.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.6 139.96 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -83.65 118.58 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 107.77 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -147.02 154.99 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -113.03 104.7 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 22.3 mm -91.69 151.76 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.66 118.32 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . 0.449 ' CE1' ' CD1' ' A' ' 541' ' ' ILE . 9.4 p80 -58.07 -28.72 64.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.449 ' CD1' ' CE1' ' A' ' 540' ' ' HIS . 2.6 mt -85.95 124.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.0 108.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 154.75 -58.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.91 -167.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.45 58.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -34.94 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 75.8 t 54.17 82.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.38 154.93 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.11 -22.64 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.641 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.99 126.46 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 39.6 p -70.55 -27.78 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.4 p -55.31 -31.05 61.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -28.47 57.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -33.64 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -62.77 -42.5 99.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.59 59.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -73.96 -31.87 63.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.19 -38.63 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.073 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -59.13 -29.84 67.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -47.21 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -59.35 -45.5 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 7.8 t -83.12 89.98 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 135.08 -85.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.11 165.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.908 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.416 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.5 OUTLIER -85.2 -52.78 0.48 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 56.6 Cg_exo -51.87 108.32 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.491 2.127 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 146.52 -98.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -101.71 115.19 29.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -88.68 160.71 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.98 172.68 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -126.87 139.19 53.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -105.13 120.57 41.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.58 155.81 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.07 123.9 18.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -64.23 -30.38 71.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.423 HD12 ' CE1' ' A' ' 561' ' ' HIS . 2.5 pt -79.97 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.7 -21.28 59.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.294 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -50.33 -57.11 10.79 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.898 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 86.8 m -90.26 -176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.93 38.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -171.23 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.69 138.06 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -157.37 125.15 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.11 46.17 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -149.15 121.66 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 27.8 m -64.19 -42.27 96.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -31.17 61.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.4 . . . . 0.0 110.525 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.24 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.108 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 5.0 tt -70.1 -37.61 75.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.4 OUTLIER -65.73 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.93 -32.95 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -78.99 -30.44 44.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.4 -39.32 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.1 -29.8 67.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.404 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 9.0 m95 -69.85 -34.69 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.423 ' CE1' HD12 ' A' ' 541' ' ' ILE . 53.0 m-70 -74.09 -41.77 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 66.5 p -88.11 103.12 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 96.82 78.99 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -45.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -69.93 143.99 92.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.77 142.98 29.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.53 2.153 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 89.61 -171.93 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -122.05 168.93 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -83.31 127.28 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.89 -169.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -130.77 116.37 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -102.76 99.83 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 30.8 mt -80.09 149.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.21 147.77 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -67.37 -51.2 55.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.3 pt -68.79 154.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -87.01 56.31 3.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -145.63 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.672 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.52 47.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.42 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -84.7 -37.5 20.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.4 t 57.04 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.412 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 2.7 m-85 -104.5 154.94 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -92.5 17.27 57.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.715 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.15 126.67 11.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.56 -28.31 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -31.95 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -30.58 58.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.13 -30.6 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 5.0 ptm180 -60.33 -46.46 89.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.708 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -71.15 -32.53 69.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.42 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 16.8 t60 -75.22 -36.69 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -42.89 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.3 OUTLIER -59.06 -29.64 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.743 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.409 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.5 OUTLIER -65.81 -43.63 88.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -63.19 -45.87 89.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.0 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 8.8 t -73.3 137.24 44.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 69.65 89.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.51 98.66 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ptm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.99 149.66 14.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.75 102.39 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.611 2.207 . . . . 0.0 112.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -173.12 -149.43 6.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.32 133.18 44.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.35 144.19 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -143.96 111.84 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -139.88 146.85 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -104.12 102.11 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.8 mp -91.18 128.29 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.1 m -78.18 106.19 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -95.88 40.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.437 . . . . 0.0 110.555 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.1 mt -124.66 123.52 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.283 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.23 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -177.17 39.83 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.613 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.671 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.8 35.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -170.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.48 157.37 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.064 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -159.13 154.9 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.87 17.27 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.713 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.15 128.49 12.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -30.44 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.3 m -56.75 -31.62 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -75.99 -31.14 58.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.537 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -34.57 74.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.6 OUTLIER -59.67 -38.83 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.435 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.04 -53.93 7.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -60.74 -27.09 67.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.89 -34.77 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -61.51 -31.63 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -46.43 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -58.81 -32.21 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 36.8 p -86.51 158.14 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 76.31 75.58 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -137.36 -49.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.67 147.1 66.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 115.08 2.04 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.558 2.172 . . . . 0.0 112.253 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 169.71 165.42 27.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 118.67 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.54 105.46 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 58.27 169.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.7 143.58 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -90.62 115.17 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 1.6 mt -122.19 137.74 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 123.09 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.975 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 30.41 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 5.4 mt -121.44 138.5 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 84.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 175.8 -59.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.591 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.25 -175.17 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.08 38.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.207 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.47 -168.78 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.14 94.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.07 154.91 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -124.98 39.36 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -149.11 113.4 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.0 t -66.1 -39.87 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.8 m -59.18 -32.84 70.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.738 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.62 -30.17 59.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.09 -30.48 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 9.7 ptp180 -57.15 -46.32 82.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -73.65 -32.84 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.62 -34.06 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.7 mt -68.69 -44.01 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.07 -29.9 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.033 -179.754 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.418 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -69.53 -30.35 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.765 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 563' ' ' GLY . 25.4 m-70 -75.96 -36.55 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.67 -83.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 561' ' ' HIS . . . -152.64 -50.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.07 98.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 ttm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.401 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.8 OUTLIER -73.19 -60.68 1.69 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 59.0 Cg_endo -72.09 139.44 32.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.498 2.132 . . . . 0.0 112.367 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -171.57 -162.69 24.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -146.53 158.16 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 128.74 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -91.27 112.88 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.36 143.44 51.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -86.6 99.96 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.93 149.37 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.01 104.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -58.06 -30.95 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 6.7 mt -65.3 159.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -92.14 36.52 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -98.9 -67.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 23.8 p -111.06 -169.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -152.62 41.31 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -83.95 -170.79 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.6 159.41 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -157.18 155.01 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.64 -26.39 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.6 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -119.28 138.36 53.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.005 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 31.8 p -63.28 -27.79 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.3 t -55.14 -28.79 55.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.775 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -75.85 -28.7 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -34.84 74.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.0 OUTLIER -62.18 -48.02 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.415 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -62.57 -34.67 77.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -76.68 -40.46 48.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.819 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.68 93.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.989 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -59.13 -29.99 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -31.96 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 563' ' ' GLY . 22.4 m-70 -73.24 -30.01 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.0 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 561' ' ' HIS . . . -95.13 -106.97 2.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 60.51 173.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.809 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.65 143.65 30.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.54 162.34 40.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.56 2.173 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -149.55 179.52 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -88.34 110.21 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -153.15 150.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.83 104.23 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.58 158.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -122.9 99.91 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.9 151.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.21 121.36 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.18 -29.05 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 41.6 mm -82.66 151.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -90.41 78.63 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -169.32 -45.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.578 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 72.5 m -87.74 -175.41 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -179.37 54.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.312 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.422 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.86 -35.24 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.2 t 48.35 88.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.407 ' CE2' ' HG3' ' A' ' 546' ' ' LYS . 20.3 m-85 -102.91 154.95 18.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.72 32.08 6.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -149.13 128.85 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.83 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -56.03 -31.63 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -76.05 -28.66 57.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.12 -37.77 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.52 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.403 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -75.96 -34.06 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.422 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 20.1 t60 -79.68 -31.55 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.31 -37.8 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.84 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.816 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -62.83 -45.91 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 34.3 p -74.25 121.93 22.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 79.29 57.03 3.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 161.83 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.69 142.88 25.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.9 120.21 6.71 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.512 2.141 . . . . 0.0 112.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -124.16 -171.38 13.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 5.2 mmpp? -141.04 110.21 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -129.82 115.42 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -126.99 39.42 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -127.32 124.85 39.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.413 ' CD2' HD12 ' A' ' 554' ' ' LEU . 6.5 m-70 -116.89 100.3 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 26.5 mm -76.04 128.27 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.2 m -76.55 113.61 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -97.57 32.92 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 8.4 mt -128.73 127.89 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.223 -179.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 59.47 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.68 33.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.727 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 179.831 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 165.87 45.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.604 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.418 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.47 -35.76 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 84.7 t 49.76 96.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.412 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.13 155.01 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -93.17 25.7 18.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.703 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -142.75 113.04 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -36.16 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -30.25 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -27.92 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 537' ' ' HIS . 1.7 tp -62.28 -36.92 83.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -62.39 -46.55 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 559' ' ' ARG . . . -68.18 -32.63 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.418 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 5.0 t60 -75.86 -30.68 58.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.458 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -36.37 83.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -40.74 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -65.69 -45.87 81.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.9 p -84.49 93.74 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 82.37 120.34 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -107.35 169.57 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.914 179.964 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.788 0.327 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 150.07 91.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 168.87 20.81 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.566 2.177 . . . . 0.0 112.255 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -134.7 -43.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 145.23 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -151.53 121.94 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt 60.36 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.8 150.77 37.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.422 ' HB3' ' CD1' ' A' ' 548' ' ' TYR . 0.3 OUTLIER -102.45 129.75 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 27.5 mm -131.33 148.81 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -67.42 111.37 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.13 -30.23 67.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 38.0 mm -70.34 152.25 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -85.37 111.66 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 146.22 -43.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.678 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -89.32 175.43 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.921 -179.831 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -167.32 30.75 0.19 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -172.42 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.8 t -152.78 132.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.315 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -134.14 126.05 29.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -63.79 -30.95 79.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.724 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.63 127.96 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.7 p -66.55 -25.96 66.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.776 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.0 t -55.11 -26.95 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -75.93 -28.54 58.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 69.0 tp -63.63 -42.53 98.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.7 ptp180 -64.26 -45.94 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -70.5 -32.59 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -77.01 -37.48 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.24 -40.35 85.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.415 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 2.9 t-105 -67.15 -46.45 74.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -59.75 -37.24 78.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.9 p -69.82 102.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.07 43.63 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.6 -46.24 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.817 0.341 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.6 93.42 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.27 171.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.537 2.158 . . . . 0.0 112.402 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -125.53 169.45 17.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.8 134.5 42.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 142.66 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.67 179.81 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -91.88 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 548' ' ' TYR . 9.1 p80 -121.38 147.6 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.52 152.44 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -75.18 97.8 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -64.26 -28.42 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.17 133.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.95 105.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 153.23 -64.14 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.588 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -85.5 176.23 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -175.29 44.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.604 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -91.88 -172.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.781 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . 0.412 ' O ' ' CD1' ' A' ' 548' ' ' TYR . 26.3 t -155.19 141.01 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.243 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.422 ' HB2' ' CE1' ' A' ' 537' ' ' HIS . 24.0 m-85 -146.7 155.0 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -94.91 24.82 26.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.688 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 126.17 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 65.4 p -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -55.27 -27.6 47.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.574 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 -27.0 58.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.084 179.069 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 537' ' ' HIS . 14.2 tp -68.18 -36.18 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.569 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.559 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.94 -38.87 92.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.915 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.559 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.33 -34.93 58.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.667 179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . 0.419 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 5.8 t60 -75.46 -31.51 60.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.53 -42.77 95.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 1.2 ptm180 -59.19 -29.73 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . 0.422 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 1.3 t-105 -68.16 -45.02 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.77 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.46 -37.54 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 18.7 p -115.78 101.53 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.06 75.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -57.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.824 0.345 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.408 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.4 OUTLIER -77.63 -52.7 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 56.7 Cg_exo -51.81 163.28 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.265 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.19 -82.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.23 128.48 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.03 143.14 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 132.54 34.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -89.12 176.17 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.43 136.68 52.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.6 140.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.7 OUTLIER -59.33 113.69 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . 0.455 ' CD1' ' CE1' ' A' ' 561' ' ' HIS . 1.2 pp -63.5 157.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -86.82 79.93 8.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 178.24 -46.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.609 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -93.87 175.61 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.792 -179.906 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -174.98 35.99 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.589 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -171.77 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.39 126.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.4 p90 -159.0 117.19 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.91 54.54 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.605 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 122.53 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 24.5 p -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 79.6 p -56.51 -35.74 68.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 110.631 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.12 -30.43 58.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.296 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.24 -33.34 67.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.555 179.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.538 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 4.5 ptm180 -71.75 -39.34 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.538 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.99 -32.57 59.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -79.54 -32.47 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 9.1 mt -63.98 -40.86 97.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.002 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -59.08 -29.79 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.59 -35.65 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.455 ' CE1' ' CD1' ' A' ' 541' ' ' ILE . 39.3 m-70 -72.09 -33.21 67.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.3 p -92.57 105.27 17.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 102.88 31.8 4.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.91 -32.93 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.817 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.857 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.404 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.3 OUTLIER -74.79 -60.93 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 65.8 Cg_endo -74.02 127.92 11.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.36 -179.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.84 77.97 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 135.14 55.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 152.59 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -105.07 152.83 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -135.41 115.09 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -95.15 99.88 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.88 133.8 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -59.79 112.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 53.2 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 24.3 mt -143.58 141.82 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.0 73.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -174.51 -52.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.742 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.7 OUTLIER -98.94 175.31 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.0 -179.742 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -170.38 37.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -171.51 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 16.1 t -137.78 141.77 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.87 154.98 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.29 16.9 14.76 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.729 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.14 134.17 18.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -33.95 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.9 p -55.42 -31.17 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.93 -28.35 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.45 179.469 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.96 -35.51 80.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.64 179.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.513 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.3 OUTLIER -62.46 -37.27 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.888 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.513 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.12 -45.16 35.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.27 -29.45 66.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.48 -38.04 86.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.21 -31.96 69.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.936 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -71.64 -32.6 68.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -73.15 -28.62 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.68 -172.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -72.01 -39.32 58.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 63.83 131.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.806 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.405 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.2 OUTLIER -85.78 -52.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 54.5 Cg_exo -51.88 -56.61 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.567 2.178 . . . . 0.0 112.253 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -127.86 143.59 14.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -130.42 136.38 48.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -99.41 126.38 45.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.24 103.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -112.1 146.16 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -90.29 117.3 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.765 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 5.2 mt -121.19 149.95 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.5 OUTLIER -69.69 99.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.65 -29.96 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.2 mt -62.26 120.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.73 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 172.59 -56.55 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.579 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -70.94 -172.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.071 -179.896 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.94 35.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.286 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -97.01 -171.8 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.88 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 136.41 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -148.51 143.31 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.78 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -104.42 32.99 6.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.561 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 126.13 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 22.3 m -59.87 -32.77 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.434 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 19.2 m -55.96 -30.46 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.465 179.627 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.18 -32.69 59.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.903 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 537' ' ' HIS . 34.1 tp -69.64 -41.42 75.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.226 179.356 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 552' ' ' SER . 11.1 ptt180 -67.95 -40.07 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.402 ' O ' ' CG ' ' A' ' 559' ' ' ARG . . . -74.58 -32.58 62.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.795 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -75.57 -30.65 59.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.71 -38.07 88.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -59.17 -29.78 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.892 -179.819 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -43.89 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . 0.455 ' O ' ' CG2' ' A' ' 562' ' ' THR . 49.2 m-70 -62.84 -37.07 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 562' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 561' ' ' HIS . 8.1 t 50.99 172.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.56 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.11 102.49 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.543 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.35 130.39 35.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.942 179.995 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.799 0.333 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.494 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 1.0 OUTLIER -72.8 -45.78 9.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 52.6 Cg_exo -52.5 110.13 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.316 2.01 . . . . 0.0 112.309 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -120.31 -130.24 3.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 159.62 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 142.86 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -98.66 97.38 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 59.93 164.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -111.72 113.53 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.52 141.05 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 94.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -59.45 -27.3 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.37 144.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.18 64.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -127.93 -76.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -112.94 -167.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -153.76 45.69 0.57 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.263 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -172.48 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.55 136.22 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.16 123.35 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.12 42.34 2.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.05 126.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 78.0 p -63.61 -39.83 95.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 552' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 0.2 OUTLIER -55.81 -31.51 62.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 179.798 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -26.49 56.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.248 179.334 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.2 tt -70.44 -39.29 74.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.647 179.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.2 OUTLIER -65.67 -38.26 88.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.712 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -71.41 -34.2 70.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -77.16 -33.02 56.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.768 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -39.39 94.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -29.95 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.007 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -71.26 -35.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -71.36 -45.37 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.6 p -70.06 103.57 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 81.7 81.31 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.62 -32.07 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.829 0.347 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 530' ' ' ASP . . . . . 0.417 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.7 OUTLIER -59.49 -52.78 71.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 531' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 67.2 Cg_exo -51.06 -177.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.538 2.159 . . . . 0.0 112.386 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.15 25.1 69.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -78.65 170.41 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.722 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.03 116.19 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 535' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 536' ' ' GLN . 0.0 OUTLIER -57.36 -108.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.824 179.543 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 536' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' A' ' 535' ' ' LYS . 27.1 mt-30 85.4 113.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 537' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 554' ' ' LEU . 3.3 m-70 -89.11 116.01 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.09 124.27 65.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.94 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -30.77 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.62 127.08 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.43 103.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 158.0 -65.1 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.556 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -167.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 173.43 39.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -169.89 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 22.6 t -153.11 125.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.196 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.13 154.93 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.97 23.89 20.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.15 133.82 17.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 551' ' ' THR . . . . . 0.404 ' HA ' ' NE2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -70.58 -32.05 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.4 m -56.1 -29.97 61.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.37 59.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 554' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -61.55 -41.17 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.8 179.741 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 555' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 10.7 ptt180 -61.84 -45.57 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.09 -34.27 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.214 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -79.98 -37.89 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.0 tp -60.91 -41.82 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -58.97 -29.77 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -34.79 75.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.799 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -73.29 -46.01 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 18.9 p -59.05 100.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 92.07 28.52 13.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.96 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.93 179.918 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.53 101.88 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 28.6 mm -112.05 146.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -66.11 96.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -59.32 -30.28 68.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.6 129.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -63.45 106.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 156.41 -53.08 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.592 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -82.78 -168.43 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.32 38.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.256 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 548' ' ' TYR . 14.2 ptmt -96.24 -172.14 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.976 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.37 140.39 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.403 ' CE2' ' HE2' ' A' ' 546' ' ' LYS . 7.6 m-85 -136.5 154.95 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.79 -28.74 2.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.751 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.16 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -70.56 -31.62 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 8.6 t -57.28 -30.6 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -28.33 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -45.16 83.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -51.68 68.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.16 -32.66 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -79.67 -33.34 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -38.87 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.87 67.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -34.12 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -71.85 -45.84 60.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.479 ' HG ' ' CE1' ' A' ' 561' ' ' HIS . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.479 ' CE1' ' HG ' ' A' ' 544' ' ' CYS . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.446 ' HB3' HD11 ' A' ' 554' ' ' LEU . 1.6 m-70 -86.53 120.42 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 23.4 mm -123.36 139.79 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.0 OUTLIER -65.31 91.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.804 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.35 -29.53 67.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.75 126.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.14 103.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 161.77 -58.18 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -78.4 -171.79 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.993 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 179.65 36.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.276 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -96.84 -171.52 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.95 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.74 121.02 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.441 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 1.7 m-85 -127.79 154.93 44.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.21 36.17 2.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 124.2 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -44.21 67.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 12.3 p -56.62 -33.05 65.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.793 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -30.59 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.715 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -58.43 -39.52 80.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -75.24 -34.62 61.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.437 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 5.2 t60 -75.89 -32.91 59.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -44.86 89.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.998 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -59.16 -29.95 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -40.55 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.437 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 29.2 m-70 -64.16 -43.89 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -90.23 108.88 20.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.813 HG23 ' O ' ' A' ' 546' ' ' LYS . 41.4 mt -124.04 142.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 120.2 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.794 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -115.96 51.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.419 HD11 ' HE1' ' A' ' 561' ' ' HIS . 1.4 pt -112.75 36.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 46.42 33.67 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -148.94 -69.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.75 -174.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.813 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -84.57 -169.81 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.35 138.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 553' ' ' HIS . 1.1 m-85 -147.32 154.72 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.63 23.85 3.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.635 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 120.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -36.48 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 37.7 m -58.83 -33.22 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 17.0 m80 -73.78 -28.76 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -42.71 78.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.51 -50.93 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.73 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.14 -35.74 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -37.83 81.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -59.22 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -46.59 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.419 ' HE1' HD11 ' A' ' 541' ' ' ILE . 64.0 m-70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.484 ' O ' HD13 ' A' ' 538' ' ' ILE . 0.8 OUTLIER -106.01 119.74 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 537' ' ' HIS . 26.1 mm -130.97 157.74 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.465 ' N ' HG22 ' A' ' 538' ' ' ILE . 3.4 t -66.82 109.69 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -27.41 62.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.635 HD11 HD11 ' A' ' 558' ' ' LEU . 4.9 mt -82.96 145.77 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.9 61.21 2.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -123.49 -75.11 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.502 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 17.5 p -107.79 -168.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -145.77 34.14 1.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.387 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -71.93 -171.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.7 t -147.62 154.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.507 ' OH ' HD13 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -144.59 155.01 43.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.38 -65.74 2.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.825 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 164.23 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.255 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 2.9 m -61.16 -26.02 67.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -27.57 46.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -75.44 -28.14 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.507 HD13 ' OH ' ' A' ' 548' ' ' TYR . 35.0 tp -56.72 -41.81 78.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -51.63 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.058 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.56 -32.69 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -79.06 -39.23 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 541' ' ' ILE . 8.6 tp -61.61 -42.91 99.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.039 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.16 -29.75 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.0 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.45 -30.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -121.24 109.14 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 9.9 mt -102.55 141.86 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -60.47 121.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 540' ' ' HIS . . . . . 0.454 ' O ' HD13 ' A' ' 541' ' ' ILE . 11.2 m80 -96.8 33.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 540' ' ' HIS . 39.3 mm -123.74 151.79 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -75.72 77.33 2.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.34 -42.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.757 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.6 OUTLIER -104.16 175.04 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 111.085 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -172.12 33.37 0.13 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.232 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -94.84 -171.7 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.25 123.8 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.9 p90 -149.68 100.58 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.27 59.54 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -149.16 113.09 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 7.0 m -62.58 -41.55 99.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.4 p -58.44 -36.58 73.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -29.31 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.403 HD13 ' HE2' ' A' ' 548' ' ' TYR . 35.4 tp -65.93 -37.86 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.793 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 13.4 ptt85 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.4 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -76.1 -36.79 58.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -75.43 -31.57 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.6 -38.5 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.355 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -29.96 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.039 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -44.67 70.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 544' ' ' CYS . 44.9 m-70 -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.482 ' O ' HD13 ' A' ' 538' ' ' ILE . 1.2 m-70 -78.39 110.24 13.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 537' ' ' HIS . 25.1 mm -128.04 140.92 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -27.27 63.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.36 150.7 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 101.35 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 159.49 -60.76 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.608 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -172.91 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.97 38.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.397 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.67 -171.65 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.3 t -135.58 124.7 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.45 154.86 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.69 34.68 2.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -148.56 124.51 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.6 t -70.3 -35.9 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 4.2 m -58.62 -33.8 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -75.93 -28.83 58.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.68 -33.26 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 12.5 ptt180 -63.53 -47.26 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.66 -32.51 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.23 -38.07 36.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.79 -44.27 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -59.13 -29.97 67.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -37.05 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -68.97 -43.65 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.84 121.63 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.01 144.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.506 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.9 OUTLIER -68.9 97.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -26.81 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.06 151.56 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -77.73 105.0 8.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 151.89 -63.94 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -82.5 175.64 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.63 35.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -171.56 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.3 t -124.06 158.92 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.483 ' N ' HG12 ' A' ' 547' ' ' VAL . 3.1 m-85 -151.4 154.92 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -110.18 -26.3 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.664 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -122.57 140.44 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 -30.01 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -55.3 -28.43 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.686 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' HIS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 12.5 m170 -75.2 -27.37 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.577 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 8.1 ptt85 -64.03 -47.0 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.75 -33.17 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.449 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 3.1 t60 -79.17 -37.16 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 558' ' ' LEU . 12.1 mt -60.4 -45.38 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.419 ' HA ' HG22 ' A' ' 562' ' ' THR . 13.9 ptm180 -59.05 -29.89 67.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -70.73 -31.84 68.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.449 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 17.9 m-70 -72.8 -45.84 56.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' THR . . . . . 0.531 ' O ' HG23 ' A' ' 562' ' ' THR . 9.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.06 116.44 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -114.31 148.13 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 116.92 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.09 25.02 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 49.9 mm -122.02 150.07 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.786 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 64.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.722 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -133.39 -80.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.597 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.4 -172.6 2.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 111.027 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -143.01 38.7 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.427 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -67.92 -172.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.35 135.4 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -147.47 146.48 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -103.07 32.19 7.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.57 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -149.15 117.5 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.8 p -59.17 -29.46 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.0 -32.42 59.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.94 -43.47 81.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -59.28 -51.69 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.12 -33.97 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.42 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 7.5 t60 -79.38 -38.18 35.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -43.7 93.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -59.15 -29.91 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -38.49 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -65.77 -44.27 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -120.34 103.26 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.44 152.22 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.0 OUTLIER -74.29 114.2 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.84 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.75 151.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.208 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -82.82 58.75 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -164.44 -51.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.9 OUTLIER -90.36 176.0 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.89 41.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.691 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -170.53 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.727 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.6 136.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -132.99 151.57 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.21 14.16 65.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.718 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -149.21 131.36 15.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.3 t -68.88 -29.09 67.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 33.4 m -56.16 -32.18 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -28.25 63.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -43.33 80.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.736 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -51.75 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.7 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -79.72 -34.8 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.74 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -29.84 67.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -33.46 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.685 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -72.39 -45.65 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.479 ' HG ' ' CE1' ' A' ' 561' ' ' HIS . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.479 ' CE1' ' HG ' ' A' ' 544' ' ' CYS . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.898 ' NE2' HG22 ' A' ' 551' ' ' THR . 2.4 m-70 -109.89 99.82 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.69 143.91 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -78.5 104.98 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -58.8 -31.57 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.694 HD13 ' CG ' ' A' ' 561' ' ' HIS . 3.7 mt -59.55 116.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.89 89.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 167.65 -48.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.59 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -87.71 -178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 167.67 49.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.443 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -79.71 -35.66 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.6 t 57.12 87.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.015 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.443 ' CE2' ' HE3' ' A' ' 546' ' ' LYS . 14.8 m-85 -99.71 154.9 17.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -99.78 32.94 6.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -149.15 127.11 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' THR . . . . . 0.898 HG22 ' NE2' ' A' ' 537' ' ' HIS . 12.5 p -70.51 -34.37 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.8 m -56.92 -31.63 65.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -28.37 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.631 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.433 HD22 ' CG ' ' A' ' 537' ' ' HIS . 4.6 tp -63.57 -36.49 83.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 3.9 ptm180 -66.07 -46.83 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.5 -32.56 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.443 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 10.4 t60 -77.96 -37.73 46.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.12 -40.4 85.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -59.09 -29.86 67.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -46.25 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.694 ' CG ' HD13 ' A' ' 541' ' ' ILE . 48.4 m-70 -59.87 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.71 104.77 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.606 HG23 HG22 ' A' ' 547' ' ' VAL . 3.7 mp -103.45 145.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.14 98.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -56.85 -28.51 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.05 150.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -81.59 59.35 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -120.82 -79.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.599 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 15.8 p -115.79 -165.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -159.15 60.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HE2' ' CG ' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -77.55 -35.44 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.974 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.606 HG22 HG23 ' A' ' 538' ' ' ILE . 74.7 t 53.71 86.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -98.33 154.91 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.11 28.47 13.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.27 127.75 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.2 t -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 44.5 m -58.29 -33.09 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -75.98 -29.39 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.59 -35.21 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 7.6 ptt180 -63.3 -46.51 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -65.19 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.461 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 8.7 t60 -73.7 -40.06 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.98 -46.38 89.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -59.13 -29.98 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -35.78 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.461 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 19.7 m-70 -68.0 -39.96 83.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.808 0.337 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 107.85 15.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 546' ' ' LYS . 6.5 mt -111.82 141.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.96 122.68 9.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 35.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 561' ' ' HIS . 2.2 pp -127.0 153.3 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.049 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -74.11 83.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 169.76 -42.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.741 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.75 173.14 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 111.064 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.39 33.94 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.3 OUTLIER -86.73 -171.51 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 548' ' ' TYR . 26.1 t -124.04 158.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.486 ' N ' HG12 ' A' ' 547' ' ' VAL . 4.5 m-85 -158.35 154.96 27.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.37 19.73 5.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.724 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -149.14 131.5 15.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -69.12 -37.72 78.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -31.51 61.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.471 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -73.71 -27.6 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.04 -36.87 80.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.609 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.544 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.68 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.544 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.23 -37.36 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.66 -29.66 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.91 -37.29 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -46.78 66.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 541' ' ' ILE . 59.8 m-70 -59.58 -42.84 93.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -102.25 103.89 14.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 7.1 mt -111.99 134.95 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 93.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -57.1 -25.08 58.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 542' ' ' GLN . 1.4 mp -68.43 161.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.048 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 541' ' ' ILE . 9.9 mp0 -69.53 -9.85 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.629 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 561' ' ' HIS . . . -53.75 -101.1 0.01 OUTLIER Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.832 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.7 -168.16 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -146.65 29.78 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -171.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.6 t -124.66 157.54 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.465 ' N ' HG12 ' A' ' 547' ' ' VAL . 11.9 m-85 -159.08 154.97 26.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -122.9 18.0 8.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.661 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -149.2 133.38 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.4 t -67.69 -34.06 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -31.76 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.74 -28.04 61.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.432 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.668 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.07 -36.5 84.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.501 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.94 -44.53 39.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.822 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 11.9 t60 -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.45 -46.41 69.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.007 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -59.42 -29.97 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -33.74 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 21.3 m-70 -70.89 -33.71 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.971 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 2.0 m-70 -84.45 117.21 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.67 146.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 121.18 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -96.83 29.54 3.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.588 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.71 150.7 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.1 66.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -131.64 -82.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.5 p -119.08 -165.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -151.82 47.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.425 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -81.44 -172.35 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 25.0 t -155.02 133.45 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 537' ' ' HIS . 0.3 OUTLIER -145.21 148.32 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -100.67 30.98 9.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -149.11 123.37 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.6 m -58.94 -29.59 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 2.3 m -56.23 -32.79 64.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.722 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -30.93 58.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.187 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 554' ' ' LEU . 6.8 tt -70.26 -36.59 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.459 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -68.57 -38.75 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.562 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.11 -41.89 60.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.452 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 12.9 t60 -74.03 -33.06 63.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.22 -45.92 82.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.05 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.779 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -40.41 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.452 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 24.7 m-70 -63.93 -45.87 87.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 536' ' ' GLN . . . . . 0.622 ' HB3' HG13 ' A' ' 547' ' ' VAL . 56.7 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -113.03 104.7 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.805 ' CD1' HG22 ' A' ' 547' ' ' VAL . 22.3 mm -91.69 151.76 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 2.5 t -70.66 118.32 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 540' ' ' HIS . . . . . 0.573 ' CD2' HG13 ' A' ' 541' ' ' ILE . 42.4 p-80 -58.07 -28.72 64.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 540' ' ' HIS . 2.6 mt -85.95 124.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.0 108.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 154.75 -58.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.404 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -64.91 -167.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.45 58.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -34.94 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.805 HG22 ' CD1' ' A' ' 538' ' ' ILE . 75.8 t 54.17 82.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.38 154.93 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.11 -22.64 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.641 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.99 126.46 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 39.6 p -70.55 -27.78 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.4 p -55.31 -31.05 61.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -28.47 57.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -33.64 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -62.77 -42.5 99.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.59 59.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -73.96 -31.87 63.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.41 ' O ' HG22 ' A' ' 562' ' ' THR . 0.1 OUTLIER -64.19 -38.63 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.073 -179.701 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -59.13 -29.84 67.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -47.21 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -59.35 -45.5 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 562' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 562' ' ' THR . 7.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.512 ' HB3' HD12 ' A' ' 554' ' ' LEU . 3.0 m-70 -105.13 120.57 41.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 546' ' ' LYS . 3.7 mp -124.58 155.81 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 538' ' ' ILE . 0.5 OUTLIER -59.07 123.9 18.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -64.23 -30.38 71.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.691 HD11 ' HE1' ' A' ' 561' ' ' HIS . 2.5 pt -79.97 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.7 -21.28 59.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.294 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -50.33 -57.11 10.79 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.898 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 86.8 m -90.26 -176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.93 38.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.6 OUTLIER -92.34 -171.23 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.69 138.06 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -157.37 125.15 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.11 46.17 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -149.15 121.66 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 27.8 m -64.19 -42.27 96.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -31.17 61.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.4 . . . . 0.0 110.525 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.24 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.108 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 537' ' ' HIS . 5.0 tt -70.1 -37.61 75.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.4 OUTLIER -65.73 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.558 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.93 -32.95 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -78.99 -30.44 44.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.4 -39.32 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -59.1 -29.8 67.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -69.85 -34.69 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.691 ' HE1' HD11 ' A' ' 541' ' ' ILE . 53.0 m-70 -74.09 -41.77 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -102.76 99.83 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 30.8 mt -80.09 149.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 4.0 t -60.21 147.77 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -67.37 -51.2 55.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.56 HD11 ' HE1' ' A' ' 561' ' ' HIS . 3.3 pt -68.79 154.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -87.01 56.31 3.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -145.63 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.672 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -64.98 -166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.52 47.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -84.7 -37.5 20.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.4 t 57.04 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.43 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 2.7 m-85 -104.5 154.94 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -92.5 17.27 57.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.715 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.15 126.67 11.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.56 -28.31 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -31.95 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -30.58 58.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.13 -30.6 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 5.0 ptm180 -60.33 -46.46 89.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.708 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -71.15 -32.53 69.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 16.8 t60 -75.22 -36.69 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -42.89 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 562' ' ' THR . 0.3 OUTLIER -59.06 -29.64 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.743 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.5 OUTLIER -65.81 -43.63 88.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.56 ' HE1' HD11 ' A' ' 541' ' ' ILE . 55.7 m-70 -63.19 -45.87 89.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.0 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 559' ' ' ARG . 8.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.416 ' CD2' HD13 ' A' ' 554' ' ' LEU . 0.9 OUTLIER -104.12 102.11 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.545 HD12 ' H ' ' A' ' 538' ' ' ILE . 3.8 mp -91.18 128.29 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.405 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -78.18 106.19 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -95.88 40.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.437 . . . . 0.0 110.555 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 561' ' ' HIS . 4.1 mt -124.66 123.52 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.283 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.23 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -177.17 39.83 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.613 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.405 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.0 OUTLIER -62.67 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.671 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.8 35.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -170.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.5 t -139.48 157.37 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.064 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' HG12 ' A' ' 547' ' ' VAL . 1.9 m-85 -159.13 154.9 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.87 17.27 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.713 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.15 128.49 12.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -30.44 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.3 m -56.75 -31.62 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -75.99 -31.14 58.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.537 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -60.4 -34.57 74.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.6 OUTLIER -59.67 -38.83 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.04 -53.93 7.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -60.74 -27.09 67.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.89 -34.77 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -61.51 -31.63 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -46.43 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.737 ' HB3' HG21 ' A' ' 541' ' ' ILE . 41.1 m-70 -58.81 -32.21 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.969 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 536' ' ' GLN . . . . . 0.487 ' HG3' HD11 ' A' ' 538' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.843 0.354 . . . . 0.0 110.821 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -90.62 115.17 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' A' ' 536' ' ' GLN . 1.6 mt -122.19 137.74 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 123.09 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.975 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 30.41 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 5.4 mt -121.44 138.5 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 84.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 175.8 -59.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.591 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.25 -175.17 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.08 38.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.207 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -97.47 -168.78 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.14 94.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.07 154.91 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -124.98 39.36 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -149.11 113.4 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.0 t -66.1 -39.87 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.8 m -59.18 -32.84 70.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.738 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.62 -30.17 59.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.09 -30.48 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 9.7 ptp180 -57.15 -46.32 82.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -73.65 -32.84 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.62 -34.06 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 558' ' ' LEU . 11.7 mt -68.69 -44.01 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.07 -29.9 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.033 -179.754 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -69.53 -30.35 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.765 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.96 -36.55 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -86.6 99.96 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.93 149.37 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.01 104.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -58.06 -30.95 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 542' ' ' GLN . 6.7 mt -65.3 159.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 542' ' ' GLN . . . . . 0.504 ' N ' HG22 ' A' ' 541' ' ' ILE . 5.4 pt20 -92.14 36.52 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -98.9 -67.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 23.8 p -111.06 -169.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -152.62 41.31 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -83.95 -170.79 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.5 t -134.6 159.41 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.484 ' N ' HG12 ' A' ' 547' ' ' VAL . 17.0 m-85 -157.18 155.01 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.64 -26.39 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.6 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -119.28 138.36 53.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.005 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 31.8 p -63.28 -27.79 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.3 t -55.14 -28.79 55.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.775 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -75.85 -28.7 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -34.84 74.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.0 OUTLIER -62.18 -48.02 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.415 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -62.57 -34.67 77.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.443 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 17.7 t60 -76.68 -40.46 48.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.819 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.68 93.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.989 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -59.13 -29.99 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -31.96 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.443 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 22.4 m-70 -73.24 -30.01 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -122.9 99.91 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.9 151.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.21 121.36 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.18 -29.05 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 41.6 mm -82.66 151.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -90.41 78.63 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -169.32 -45.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.578 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 72.5 m -87.74 -175.41 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -179.37 54.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.312 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.86 -35.24 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.2 t 48.35 88.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' A' ' 546' ' ' LYS . 20.3 m-85 -102.91 154.95 18.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.72 32.08 6.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -149.13 128.85 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.83 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -56.03 -31.63 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -76.05 -28.66 57.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.12 -37.77 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.52 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -75.96 -34.06 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.419 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 20.1 t60 -79.68 -31.55 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.31 -37.8 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.84 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.816 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -62.83 -45.91 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 34.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.996 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -116.89 100.3 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.574 HD13 HG22 ' A' ' 547' ' ' VAL . 26.5 mm -76.04 128.27 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.2 m -76.55 113.61 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -97.57 32.92 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 561' ' ' HIS . 8.4 mt -128.73 127.89 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 59.47 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.68 33.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.727 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -64.01 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 165.87 45.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.604 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.407 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.47 -35.76 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.574 HG22 HD13 ' A' ' 538' ' ' ILE . 84.7 t 49.76 96.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.412 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.13 155.01 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -93.17 25.7 18.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.703 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -142.75 113.04 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -36.16 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -30.25 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -27.92 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.28 -36.92 83.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -62.39 -46.55 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 559' ' ' ARG . . . -68.18 -32.63 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 5.0 t60 -75.86 -30.68 58.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.458 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -36.37 83.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -40.74 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.4 ' HB3' HG21 ' A' ' 541' ' ' ILE . 38.6 m-70 -65.69 -45.87 81.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 536' ' ' GLN . . . . . 0.542 ' HG2' HG11 ' A' ' 547' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.782 ' CE1' HD22 ' A' ' 554' ' ' LEU . 0.3 OUTLIER -102.45 129.75 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 538' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 537' ' ' HIS . 27.5 mm -131.33 148.81 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -67.42 111.37 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.13 -30.23 67.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 38.0 mm -70.34 152.25 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -85.37 111.66 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 146.22 -43.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.678 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -89.32 175.43 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.921 -179.831 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -167.32 30.75 0.19 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -172.42 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.542 HG11 ' HG2' ' A' ' 536' ' ' GLN . 21.8 t -152.78 132.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -134.14 126.05 29.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -63.79 -30.95 79.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.724 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.63 127.96 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 551' ' ' THR . . . . . 0.402 HG22 ' NE2' ' A' ' 537' ' ' HIS . 10.7 p -66.55 -25.96 66.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.776 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.0 t -55.11 -26.95 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -75.93 -28.54 58.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.782 HD22 ' CE1' ' A' ' 537' ' ' HIS . 69.0 tp -63.63 -42.53 98.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.7 ptp180 -64.26 -45.94 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -70.5 -32.59 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -77.01 -37.48 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.24 -40.35 85.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 2.9 t-105 -67.15 -46.45 74.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -59.75 -37.24 78.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 548' ' ' TYR . 9.1 p80 -121.38 147.6 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.52 152.44 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -75.18 97.8 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -64.26 -28.42 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.17 133.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.95 105.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 153.23 -64.14 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.588 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -85.5 176.23 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -175.29 44.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.604 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -91.88 -172.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.781 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.412 ' O ' ' CD1' ' A' ' 548' ' ' TYR . 26.3 t -155.19 141.01 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.243 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.428 ' HB2' ' CE1' ' A' ' 537' ' ' HIS . 24.0 m-85 -146.7 155.0 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -94.91 24.82 26.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.688 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 126.17 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 65.4 p -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -55.27 -27.6 47.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.574 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 -27.0 58.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.084 179.069 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 554' ' ' LEU . 14.2 tp -68.18 -36.18 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.569 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.94 -38.87 92.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.915 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.557 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.33 -34.93 58.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.667 179.489 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 557' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 5.8 t60 -75.46 -31.51 60.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 558' ' ' LEU . 4.9 mt -64.53 -42.77 95.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 1.2 ptm180 -59.19 -29.73 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 560' ' ' TRP . . . . . 0.42 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 1.3 t-105 -68.16 -45.02 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.77 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.46 -37.54 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.43 136.68 52.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.6 140.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.7 OUTLIER -59.33 113.69 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 541' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 561' ' ' HIS . 1.2 pp -63.5 157.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -86.82 79.93 8.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 178.24 -46.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.609 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -93.87 175.61 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.792 -179.906 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -174.98 35.99 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.589 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -171.77 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.39 126.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.4 p90 -159.0 117.19 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.91 54.54 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.605 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 122.53 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 24.5 p -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 552' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 79.6 p -56.51 -35.74 68.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 110.631 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.12 -30.43 58.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.296 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' A' ' 558' ' ' LEU . 2.7 tt -72.24 -33.34 67.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.555 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 4.5 ptm180 -71.75 -39.34 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.99 -32.57 59.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -79.54 -32.47 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.537 ' HG ' HD23 ' A' ' 554' ' ' LEU . 9.1 mt -63.98 -40.86 97.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -59.08 -29.79 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.59 -35.65 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.533 ' CE1' HD11 ' A' ' 541' ' ' ILE . 39.3 m-70 -72.09 -33.21 67.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.999 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.541 ' HB3' HD11 ' A' ' 554' ' ' LEU . 38.0 m170 -95.15 99.88 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.88 133.8 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -59.79 112.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 53.2 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 24.3 mt -143.58 141.82 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.0 73.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -174.51 -52.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.742 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.7 OUTLIER -98.94 175.31 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.0 -179.742 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -170.38 37.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -171.51 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 16.1 t -137.78 141.77 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.87 154.98 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.29 16.9 14.76 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.729 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.14 134.17 18.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -33.95 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.9 p -55.42 -31.17 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.93 -28.35 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.45 179.469 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 537' ' ' HIS . 2.5 mp -65.96 -35.51 80.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.64 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.3 OUTLIER -62.46 -37.27 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.888 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.507 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.12 -45.16 35.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.27 -29.45 66.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.48 -38.04 86.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.21 -31.96 69.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.936 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -71.64 -32.6 68.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -73.15 -28.62 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -90.29 117.3 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.765 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 5.2 mt -121.19 149.95 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 539' ' ' CYS . . . . . 0.421 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.5 OUTLIER -69.69 99.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.65 -29.96 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.2 mt -62.26 120.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.73 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 172.59 -56.55 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.579 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 544' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -70.94 -172.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.071 -179.896 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.94 35.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.286 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 546' ' ' LYS . . . . . 0.422 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -97.01 -171.8 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.88 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 136.41 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 548' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -148.51 143.31 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.78 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -104.42 32.99 6.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.561 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 126.13 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 22.3 m -59.87 -32.77 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 552' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 19.2 m -55.96 -30.46 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.465 179.627 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.18 -32.69 59.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.903 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.64 -41.42 75.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.226 179.356 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 552' ' ' SER . 11.1 ptt180 -67.95 -40.07 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.58 -32.58 62.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.795 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -75.57 -30.65 59.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.71 -38.07 88.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 559' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -59.17 -29.78 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.892 -179.819 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -43.89 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 561' ' ' HIS . . . . . 0.657 ' O ' HG22 ' A' ' 562' ' ' THR . 49.2 m-70 -62.84 -37.07 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 562' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 561' ' ' HIS . 8.1 t . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.56 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 536' ' ' GLN . . . . . 0.437 ' OE1' HG11 ' A' ' 547' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -111.72 113.53 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.52 141.05 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 94.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -59.45 -27.3 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.37 144.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.18 64.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -127.93 -76.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -112.94 -167.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -153.76 45.69 0.57 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.263 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -172.48 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.437 HG11 ' OE1' ' A' ' 536' ' ' GLN . 21.6 t -137.55 136.22 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.16 123.35 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.12 42.34 2.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.05 126.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 78.0 p -63.61 -39.83 95.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 552' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 0.2 OUTLIER -55.81 -31.51 62.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 179.798 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -26.49 56.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.248 179.334 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.676 HD23 HD23 ' A' ' 558' ' ' LEU . 4.2 tt -70.44 -39.29 74.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.647 179.697 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.2 OUTLIER -65.67 -38.26 88.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.712 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.489 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -71.41 -34.2 70.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -77.16 -33.02 56.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.768 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.676 HD23 HD23 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -63.89 -39.39 94.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.709 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -29.95 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.007 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -71.26 -35.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -71.36 -45.37 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 536' ' ' GLN . . . . . 0.549 ' HB3' HG13 ' A' ' 547' ' ' VAL . 27.1 mt-30 . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 537' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 554' ' ' LEU . 3.3 m-70 -89.11 116.01 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.09 124.27 65.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.94 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -30.77 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.62 127.08 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.43 103.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 158.0 -65.1 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.556 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -167.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 173.43 39.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -169.89 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 547' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 536' ' ' GLN . 22.6 t -153.11 125.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.196 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.13 154.93 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.97 23.89 20.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.15 133.82 17.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 551' ' ' THR . . . . . 0.406 ' HA ' ' NE2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -70.58 -32.05 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.4 m -56.1 -29.97 61.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.37 59.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 554' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -61.55 -41.17 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.8 179.741 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 555' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 10.7 ptt180 -61.84 -45.57 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 556' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.09 -34.27 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.214 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -79.98 -37.89 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 562' ' ' THR . 5.0 tp -60.91 -41.82 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.666 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -58.97 -29.77 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -34.79 75.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.799 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -73.29 -46.01 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 562' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 558' ' ' LEU . 18.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.802 0.334 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.408 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.1 OUTLIER -68.85 -60.68 4.22 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 58.9 Cg_endo -71.84 -174.89 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.513 2.142 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.04 -169.03 41.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.83 134.41 54.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.08 157.93 17.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -130.69 140.24 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.12 156.08 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.53 101.88 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 28.6 mm -112.05 146.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -66.11 96.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -59.32 -30.28 68.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.6 129.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -63.45 106.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 156.41 -53.08 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.592 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -82.78 -168.43 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.32 38.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.256 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 548' ' ' TYR . 14.2 ptmt -96.24 -172.14 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.976 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.37 140.39 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.403 ' CE2' ' HE2' ' A' ' 546' ' ' LYS . 7.6 m-85 -136.5 154.95 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.79 -28.74 2.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.751 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.16 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -70.56 -31.62 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 8.6 t -57.28 -30.6 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -28.33 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -45.16 83.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -51.68 68.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.16 -32.66 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -79.67 -33.34 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -38.87 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.87 67.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -34.12 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -71.85 -45.84 60.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 29.8 p -77.51 -44.66 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -77.0 75.08 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -128.73 -46.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.846 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.78 0.324 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.65 111.23 8.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.55 114.23 3.42 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.422 2.081 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 120.59 120.75 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -98.46 140.84 32.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -140.57 165.19 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.7 mttt 60.64 158.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -97.51 -177.66 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p -97.31 36.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -160.16 34.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.06 175.66 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.806 0.336 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.86 105.77 14.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.22 -35.86 18.06 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.42 2.08 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.54 -102.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.566 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -107.48 157.3 18.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -152.91 140.52 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 138.48 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 60.07 -178.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.446 ' HB3' HD11 ' A' ' 554' ' ' LEU . 1.6 m-70 -86.53 120.42 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 23.4 mm -123.36 139.79 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.0 OUTLIER -65.31 91.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.804 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.35 -29.53 67.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.75 126.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.14 103.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 161.77 -58.18 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -78.4 -171.79 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.993 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 179.65 36.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.276 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -96.84 -171.52 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.95 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.74 121.02 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.441 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 1.7 m-85 -127.79 154.93 44.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.21 36.17 2.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 124.2 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -44.21 67.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 12.3 p -56.62 -33.05 65.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.793 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -30.59 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.715 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -58.43 -39.52 80.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -75.24 -34.62 61.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -75.89 -32.91 59.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -44.86 89.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.998 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -59.16 -29.95 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -40.55 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.16 -43.89 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.9 p -91.28 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 113.96 36.59 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -146.58 -48.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.321 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.862 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.848 0.356 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.95 112.35 5.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.9 98.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.479 2.119 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 162.67 -173.88 38.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 166.45 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.88 137.76 45.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -106.54 39.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -89.07 123.81 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -90.23 108.88 20.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.813 HG23 ' O ' ' A' ' 546' ' ' LYS . 41.4 mt -124.04 142.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 120.2 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.794 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -115.96 51.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.419 HD11 ' HE1' ' A' ' 561' ' ' HIS . 1.4 pt -112.75 36.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 46.42 33.67 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -148.94 -69.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.75 -174.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.813 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -84.57 -169.81 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.35 138.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 553' ' ' HIS . 1.1 m-85 -147.32 154.72 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.63 23.85 3.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.635 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 120.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -36.48 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 37.7 m -58.83 -33.22 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 17.0 m80 -73.78 -28.76 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -42.71 78.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.51 -50.93 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.73 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.14 -35.74 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -37.83 81.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -59.22 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -46.59 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.419 ' HE1' HD11 ' A' ' 541' ' ' ILE . 64.0 m-70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.6 p -75.91 131.71 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 77.71 57.15 3.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.61 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.925 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.802 0.334 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.1 113.48 28.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.93 -33.35 61.58 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.356 2.037 . . . . 0.0 112.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 135.52 -162.19 24.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -120.47 142.76 48.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 137.98 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -78.46 117.62 19.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -133.64 148.27 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.484 ' O ' HD13 ' A' ' 538' ' ' ILE . 0.8 OUTLIER -106.01 119.74 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 537' ' ' HIS . 26.1 mm -130.97 157.74 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.465 ' N ' HG22 ' A' ' 538' ' ' ILE . 3.4 t -66.82 109.69 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -27.41 62.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.635 HD11 HD11 ' A' ' 558' ' ' LEU . 4.9 mt -82.96 145.77 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.9 61.21 2.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -123.49 -75.11 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.502 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 17.5 p -107.79 -168.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -145.77 34.14 1.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.387 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -71.93 -171.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.7 t -147.62 154.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.507 ' OH ' HD13 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -144.59 155.01 43.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.38 -65.74 2.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.825 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 164.23 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.255 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 2.9 m -61.16 -26.02 67.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -27.57 46.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -75.44 -28.14 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.507 HD13 ' OH ' ' A' ' 548' ' ' TYR . 35.0 tp -56.72 -41.81 78.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -51.63 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.058 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.56 -32.69 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -79.06 -39.23 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 541' ' ' ILE . 8.6 tp -61.61 -42.91 99.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.039 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.16 -29.75 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.0 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.45 -30.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.9 t -97.78 30.62 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -132.42 -93.78 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.429 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 63.02 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.714 0.293 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.421 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.4 OUTLIER -82.14 -52.38 0.73 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 44.2 Cg_exo -56.39 151.14 46.59 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.25 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -88.32 -52.73 2.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -147.0 123.46 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 168.15 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 62.53 157.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.26 126.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -121.24 109.14 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 9.9 mt -102.55 141.86 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -60.47 121.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 540' ' ' HIS . . . . . 0.454 ' O ' HD13 ' A' ' 541' ' ' ILE . 11.2 m80 -96.8 33.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 540' ' ' HIS . 39.3 mm -123.74 151.79 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -75.72 77.33 2.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.34 -42.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.757 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.6 OUTLIER -104.16 175.04 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 111.085 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -172.12 33.37 0.13 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.232 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -94.84 -171.7 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.25 123.8 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.9 p90 -149.68 100.58 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.27 59.54 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -149.16 113.09 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 7.0 m -62.58 -41.55 99.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.4 p -58.44 -36.58 73.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -29.31 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.403 HD13 ' HE2' ' A' ' 548' ' ' TYR . 35.4 tp -65.93 -37.86 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.793 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 13.4 ptt85 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.4 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -76.1 -36.79 58.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -75.43 -31.57 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.6 -38.5 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.355 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -29.96 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.039 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -44.67 70.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 544' ' ' CYS . 44.9 m-70 -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.2 p -80.11 87.99 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 111.75 135.27 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -146.24 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.867 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.798 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -157.76 121.61 2.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 101.5 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.88 -144.01 11.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -113.62 152.07 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.65 143.93 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 60.07 -178.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -113.01 143.7 43.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.482 ' O ' HD13 ' A' ' 538' ' ' ILE . 1.2 m-70 -78.39 110.24 13.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 537' ' ' HIS . 25.1 mm -128.04 140.92 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -27.27 63.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.36 150.7 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 101.35 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 159.49 -60.76 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.608 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -172.91 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.97 38.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.397 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.67 -171.65 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.3 t -135.58 124.7 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.45 154.86 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.69 34.68 2.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -148.56 124.51 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.6 t -70.3 -35.9 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 4.2 m -58.62 -33.8 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -75.93 -28.83 58.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.68 -33.26 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 12.5 ptt180 -63.53 -47.26 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.66 -32.51 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.23 -38.07 36.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.79 -44.27 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -59.13 -29.97 67.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -37.05 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -68.97 -43.65 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.7 p -75.7 -33.84 60.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -102.91 61.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.17 -58.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.76 93.6 2.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.07 -28.08 35.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.473 2.115 . . . . 0.0 112.266 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 96.01 -40.45 2.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.598 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -115.86 150.83 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 116.0 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -88.05 149.24 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -135.29 144.08 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.84 121.63 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.01 144.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.506 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.9 OUTLIER -68.9 97.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -26.81 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.06 151.56 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -77.73 105.0 8.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 151.89 -63.94 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -82.5 175.64 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.63 35.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -171.56 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.3 t -124.06 158.92 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.483 ' N ' HG12 ' A' ' 547' ' ' VAL . 3.1 m-85 -151.4 154.92 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -110.18 -26.3 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.664 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -122.57 140.44 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 -30.01 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -55.3 -28.43 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.686 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' HIS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 12.5 m170 -75.2 -27.37 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.577 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 8.1 ptt85 -64.03 -47.0 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.75 -33.17 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -79.17 -37.16 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 558' ' ' LEU . 12.1 mt -60.4 -45.38 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.419 ' HA ' HG22 ' A' ' 562' ' ' THR . 13.9 ptm180 -59.05 -29.89 67.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -70.73 -31.84 68.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -72.8 -45.84 56.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' THR . . . . . 0.531 ' O ' HG23 ' A' ' 562' ' ' THR . 9.1 t -72.49 108.02 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 104.22 102.37 2.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.26 174.89 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.403 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 1.0 OUTLIER -87.58 -52.88 0.4 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 50.4 Cg_exo -53.23 169.44 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 0.0 112.282 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 133.74 -52.27 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.542 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.01 166.35 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -89.21 166.02 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.61 160.75 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.42 131.91 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.06 116.44 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -114.31 148.13 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 116.92 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.09 25.02 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 49.9 mm -122.02 150.07 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.786 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 64.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.722 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -133.39 -80.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.597 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.4 -172.6 2.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 111.027 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -143.01 38.7 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.427 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -67.92 -172.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.35 135.4 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -147.47 146.48 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -103.07 32.19 7.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.57 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -149.15 117.5 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.8 p -59.17 -29.46 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.0 -32.42 59.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.94 -43.47 81.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -59.28 -51.69 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.12 -33.97 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.42 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 7.5 t60 -79.38 -38.18 35.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -43.7 93.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -59.15 -29.91 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -38.49 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -65.77 -44.27 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 25.6 p -69.49 104.48 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 109.78 77.46 0.95 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -111.52 -52.53 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.763 0.316 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 149.87 97.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.32 -55.77 3.52 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 0.0 112.263 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 106.95 85.0 1.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 139.3 31.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.51 156.51 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt 43.48 92.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.451 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -148.81 153.95 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -120.34 103.26 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.44 152.22 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.0 OUTLIER -74.29 114.2 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.84 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.75 151.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.208 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -82.82 58.75 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -164.44 -51.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.9 OUTLIER -90.36 176.0 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.89 41.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.691 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -170.53 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.727 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.6 136.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -132.99 151.57 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.21 14.16 65.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.718 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -149.21 131.36 15.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.3 t -68.88 -29.09 67.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 33.4 m -56.16 -32.18 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -28.25 63.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -43.33 80.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.736 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -51.75 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.7 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -79.72 -34.8 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.74 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -29.84 67.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -33.46 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.685 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -72.39 -45.65 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 12.4 p -84.41 117.76 23.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 105.54 28.19 5.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.87 -42.69 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.78 0.324 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.65 111.23 8.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.55 114.23 3.42 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.422 2.081 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 120.59 120.75 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -98.46 140.84 32.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -140.57 165.19 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.7 mttt 60.64 158.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -97.51 -177.66 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p -97.31 36.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -160.16 34.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.06 175.66 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -146.51 162.41 34.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 -39.71 69.57 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.597 2.198 . . . . 0.0 112.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -144.3 165.28 27.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 126.66 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -134.24 160.5 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -131.13 146.91 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.89 147.18 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.898 ' NE2' HG22 ' A' ' 551' ' ' THR . 2.4 m-70 -109.89 99.82 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.69 143.91 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -78.5 104.98 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -58.8 -31.57 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.694 HD13 ' CG ' ' A' ' 561' ' ' HIS . 3.7 mt -59.55 116.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.89 89.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 167.65 -48.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.59 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -87.71 -178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 167.67 49.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.443 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -79.71 -35.66 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.6 t 57.12 87.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.015 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.443 ' CE2' ' HE3' ' A' ' 546' ' ' LYS . 14.8 m-85 -99.71 154.9 17.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -99.78 32.94 6.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -149.15 127.11 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.898 HG22 ' NE2' ' A' ' 537' ' ' HIS . 12.5 p -70.51 -34.37 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.8 m -56.92 -31.63 65.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -28.37 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.631 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.433 HD22 ' CG ' ' A' ' 537' ' ' HIS . 4.6 tp -63.57 -36.49 83.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 3.9 ptm180 -66.07 -46.83 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.5 -32.56 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.443 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 10.4 t60 -77.96 -37.73 46.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.12 -40.4 85.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -59.09 -29.86 67.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -46.25 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.694 ' CG ' HD13 ' A' ' 541' ' ' ILE . 48.4 m-70 -59.87 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.6 p -63.05 115.29 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 67.6 98.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 32.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.908 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.78 0.324 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.84 162.69 30.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 163.39 38.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.531 2.154 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.74 -72.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -132.79 113.13 12.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.94 154.59 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -120.53 103.89 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -172.91 131.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.71 104.77 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.606 HG23 HG22 ' A' ' 547' ' ' VAL . 3.7 mp -103.45 145.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.14 98.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -56.85 -28.51 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.05 150.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -81.59 59.35 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -120.82 -79.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.599 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 15.8 p -115.79 -165.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -159.15 60.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HE2' ' CG ' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -77.55 -35.44 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.974 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.606 HG22 HG23 ' A' ' 538' ' ' ILE . 74.7 t 53.71 86.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -98.33 154.91 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.11 28.47 13.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.27 127.75 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.2 t -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 44.5 m -58.29 -33.09 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -75.98 -29.39 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.59 -35.21 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 7.6 ptt180 -63.3 -46.51 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -65.19 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.436 ' CG ' ' HE2' ' A' ' 546' ' ' LYS . 8.7 t60 -73.7 -40.06 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.98 -46.38 89.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -59.13 -29.98 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -35.78 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -68.0 -39.96 83.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.6 p 55.91 36.27 27.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 72.44 106.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -103.99 166.63 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.854 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.747 0.308 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.29 142.67 84.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.35 -177.44 2.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.504 2.136 . . . . 0.0 112.222 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 122.45 145.05 6.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 134.99 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -79.99 162.45 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -123.87 160.72 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -135.37 167.01 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 107.85 15.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 546' ' ' LYS . 6.5 mt -111.82 141.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.96 122.68 9.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 35.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 561' ' ' HIS . 2.2 pp -127.0 153.3 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.049 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -74.11 83.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 169.76 -42.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.741 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.75 173.14 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 111.064 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.39 33.94 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.3 OUTLIER -86.73 -171.51 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 548' ' ' TYR . 26.1 t -124.04 158.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.486 ' N ' HG12 ' A' ' 547' ' ' VAL . 4.5 m-85 -158.35 154.96 27.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.37 19.73 5.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.724 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -149.14 131.5 15.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -69.12 -37.72 78.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -31.51 61.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.471 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -73.71 -27.6 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.04 -36.87 80.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.609 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.544 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.68 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.544 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.23 -37.36 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.66 -29.66 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.91 -37.29 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -46.78 66.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 541' ' ' ILE . 59.8 m-70 -59.58 -42.84 93.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 75.0 p -75.35 -33.34 61.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -104.87 90.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.319 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.4 ptt-85 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.894 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.79 119.04 70.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 -28.5 36.01 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.357 2.038 . . . . 0.0 112.199 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.52 -121.59 5.86 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.99 134.39 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -130.32 120.02 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -146.79 122.17 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -153.2 136.84 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -102.25 103.89 14.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 7.1 mt -111.99 134.95 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 93.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -57.1 -25.08 58.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 542' ' ' GLN . 1.4 mp -68.43 161.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.048 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 541' ' ' ILE . 9.9 mp0 -69.53 -9.85 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.629 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 561' ' ' HIS . . . -53.75 -101.1 0.01 OUTLIER Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.832 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.7 -168.16 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -146.65 29.78 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -171.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.6 t -124.66 157.54 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.465 ' N ' HG12 ' A' ' 547' ' ' VAL . 11.9 m-85 -159.08 154.97 26.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -122.9 18.0 8.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.661 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -149.2 133.38 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.4 t -67.69 -34.06 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -31.76 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.74 -28.04 61.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.432 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.668 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.07 -36.5 84.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.501 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.94 -44.53 39.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.822 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.45 -46.41 69.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.007 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -59.42 -29.97 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -33.74 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.414 ' CE1' ' HA3' ' A' ' 543' ' ' GLY . 21.3 m-70 -70.89 -33.71 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 8.2 p 56.06 -178.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -74.37 101.17 1.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -142.79 -177.41 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 1.5 ptt85 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.889 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.834 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.4 t0 60.6 98.91 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.84 159.64 51.93 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.079 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 121.26 -160.52 15.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.424 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -80.96 140.27 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -115.75 156.64 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -131.09 177.63 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.03 152.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 2.0 m-70 -84.45 117.21 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.67 146.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 121.18 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -96.83 29.54 3.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.588 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.71 150.7 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.1 66.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -131.64 -82.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.5 p -119.08 -165.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -151.82 47.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.425 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -81.44 -172.35 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 25.0 t -155.02 133.45 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 537' ' ' HIS . 0.3 OUTLIER -145.21 148.32 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -100.67 30.98 9.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -149.11 123.37 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.6 m -58.94 -29.59 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 2.3 m -56.23 -32.79 64.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.722 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -30.93 58.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.187 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 554' ' ' LEU . 6.8 tt -70.26 -36.59 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.459 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -68.57 -38.75 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.562 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.11 -41.89 60.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.425 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 12.9 t60 -74.03 -33.06 63.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.22 -45.92 82.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.05 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.779 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -40.41 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -63.93 -45.87 87.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 10.5 t -78.72 138.0 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 87.05 54.65 2.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -114.12 -37.87 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.1 127.79 56.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -61.84 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.397 2.064 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 142.05 -71.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.6 139.96 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -83.65 118.58 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 107.77 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 536' ' ' GLN . . . . . 0.622 ' HB3' HG13 ' A' ' 547' ' ' VAL . 56.7 mt-30 -147.02 154.99 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -113.03 104.7 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.805 ' CD1' HG22 ' A' ' 547' ' ' VAL . 22.3 mm -91.69 151.76 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 2.5 t -70.66 118.32 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' HIS . . . . . 0.573 ' CD2' HG13 ' A' ' 541' ' ' ILE . 42.4 p-80 -58.07 -28.72 64.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 540' ' ' HIS . 2.6 mt -85.95 124.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.0 108.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 154.75 -58.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.404 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -64.91 -167.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.45 58.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -34.94 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.805 HG22 ' CD1' ' A' ' 538' ' ' ILE . 75.8 t 54.17 82.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.38 154.93 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.11 -22.64 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.641 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.99 126.46 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 39.6 p -70.55 -27.78 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.4 p -55.31 -31.05 61.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -28.47 57.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -33.64 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -62.77 -42.5 99.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.59 59.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -73.96 -31.87 63.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.41 ' O ' HG22 ' A' ' 562' ' ' THR . 0.1 OUTLIER -64.19 -38.63 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.073 -179.701 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -59.13 -29.84 67.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -47.21 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -59.35 -45.5 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 562' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 562' ' ' THR . 7.8 t -83.12 89.98 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 135.08 -85.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.11 165.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.908 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.416 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.5 OUTLIER -85.2 -52.78 0.48 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 56.6 Cg_exo -51.87 108.32 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.491 2.127 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 146.52 -98.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -101.71 115.19 29.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -88.68 160.71 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.98 172.68 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -126.87 139.19 53.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.512 ' HB3' HD12 ' A' ' 554' ' ' LEU . 3.0 m-70 -105.13 120.57 41.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 546' ' ' LYS . 3.7 mp -124.58 155.81 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 538' ' ' ILE . 0.5 OUTLIER -59.07 123.9 18.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -64.23 -30.38 71.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.691 HD11 ' HE1' ' A' ' 561' ' ' HIS . 2.5 pt -79.97 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.7 -21.28 59.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.294 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -50.33 -57.11 10.79 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.898 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 86.8 m -90.26 -176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.93 38.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.6 OUTLIER -92.34 -171.23 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.69 138.06 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -157.37 125.15 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.11 46.17 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -149.15 121.66 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 27.8 m -64.19 -42.27 96.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -31.17 61.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.4 . . . . 0.0 110.525 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.24 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.108 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 537' ' ' HIS . 5.0 tt -70.1 -37.61 75.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.4 OUTLIER -65.73 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.558 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.93 -32.95 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -78.99 -30.44 44.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.4 -39.32 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -59.1 -29.8 67.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -69.85 -34.69 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.691 ' HE1' HD11 ' A' ' 541' ' ' ILE . 53.0 m-70 -74.09 -41.77 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 66.5 p -88.11 103.12 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 96.82 78.99 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -45.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -69.93 143.99 92.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.77 142.98 29.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.53 2.153 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 89.61 -171.93 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -122.05 168.93 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -83.31 127.28 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.89 -169.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -130.77 116.37 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -102.76 99.83 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 30.8 mt -80.09 149.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 4.0 t -60.21 147.77 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -67.37 -51.2 55.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.56 HD11 ' HE1' ' A' ' 561' ' ' HIS . 3.3 pt -68.79 154.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -87.01 56.31 3.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -145.63 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.672 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -64.98 -166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.52 47.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -84.7 -37.5 20.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.4 t 57.04 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.43 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 2.7 m-85 -104.5 154.94 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -92.5 17.27 57.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.715 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.15 126.67 11.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.56 -28.31 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -31.95 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -30.58 58.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.13 -30.6 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 5.0 ptm180 -60.33 -46.46 89.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.708 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -71.15 -32.53 69.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 16.8 t60 -75.22 -36.69 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -42.89 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 562' ' ' THR . 0.3 OUTLIER -59.06 -29.64 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.743 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.5 OUTLIER -65.81 -43.63 88.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.56 ' HE1' HD11 ' A' ' 541' ' ' ILE . 55.7 m-70 -63.19 -45.87 89.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.0 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 559' ' ' ARG . 8.8 t -73.3 137.24 44.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 69.65 89.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.51 98.66 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ptm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.99 149.66 14.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.75 102.39 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.611 2.207 . . . . 0.0 112.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -173.12 -149.43 6.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.32 133.18 44.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.35 144.19 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -143.96 111.84 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -139.88 146.85 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.416 ' CD2' HD13 ' A' ' 554' ' ' LEU . 0.9 OUTLIER -104.12 102.11 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.545 HD12 ' H ' ' A' ' 538' ' ' ILE . 3.8 mp -91.18 128.29 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.405 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -78.18 106.19 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -95.88 40.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.437 . . . . 0.0 110.555 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 561' ' ' HIS . 4.1 mt -124.66 123.52 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.283 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.23 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -177.17 39.83 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.613 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.405 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.0 OUTLIER -62.67 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.671 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.8 35.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -170.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.5 t -139.48 157.37 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.064 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' HG12 ' A' ' 547' ' ' VAL . 1.9 m-85 -159.13 154.9 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.87 17.27 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.713 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.15 128.49 12.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -30.44 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.3 m -56.75 -31.62 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -75.99 -31.14 58.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.537 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -60.4 -34.57 74.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.6 OUTLIER -59.67 -38.83 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.04 -53.93 7.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -60.74 -27.09 67.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.89 -34.77 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -61.51 -31.63 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -46.43 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.737 ' HB3' HG21 ' A' ' 541' ' ' ILE . 41.1 m-70 -58.81 -32.21 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 36.8 p -86.51 158.14 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 76.31 75.58 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -137.36 -49.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.67 147.1 66.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 115.08 2.04 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.558 2.172 . . . . 0.0 112.253 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 169.71 165.42 27.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 118.67 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.54 105.46 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 58.27 169.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 536' ' ' GLN . . . . . 0.487 ' HG3' HD11 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -99.7 143.58 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.891 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -90.62 115.17 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' A' ' 536' ' ' GLN . 1.6 mt -122.19 137.74 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 123.09 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.975 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 30.41 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 5.4 mt -121.44 138.5 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 84.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 175.8 -59.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.591 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.25 -175.17 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.08 38.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.207 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -97.47 -168.78 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.14 94.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.07 154.91 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -124.98 39.36 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -149.11 113.4 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.0 t -66.1 -39.87 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.8 m -59.18 -32.84 70.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.738 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.62 -30.17 59.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.09 -30.48 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 9.7 ptp180 -57.15 -46.32 82.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -73.65 -32.84 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.62 -34.06 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 558' ' ' LEU . 11.7 mt -68.69 -44.01 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.07 -29.9 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.033 -179.754 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -69.53 -30.35 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.765 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 563' ' ' GLY . 25.4 m-70 -75.96 -36.55 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.67 -83.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 561' ' ' HIS . . . -152.64 -50.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.07 98.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 ttm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.401 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.8 OUTLIER -73.19 -60.68 1.69 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 59.0 Cg_endo -72.09 139.44 32.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.498 2.132 . . . . 0.0 112.367 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -171.57 -162.69 24.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -146.53 158.16 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 128.74 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -91.27 112.88 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.36 143.44 51.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -86.6 99.96 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.93 149.37 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.01 104.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -58.06 -30.95 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 542' ' ' GLN . 6.7 mt -65.3 159.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 542' ' ' GLN . . . . . 0.504 ' N ' HG22 ' A' ' 541' ' ' ILE . 5.4 pt20 -92.14 36.52 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -98.9 -67.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 23.8 p -111.06 -169.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -152.62 41.31 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -83.95 -170.79 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.5 t -134.6 159.41 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.484 ' N ' HG12 ' A' ' 547' ' ' VAL . 17.0 m-85 -157.18 155.01 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.64 -26.39 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.6 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -119.28 138.36 53.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.005 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 31.8 p -63.28 -27.79 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.3 t -55.14 -28.79 55.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.775 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -75.85 -28.7 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -34.84 74.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.0 OUTLIER -62.18 -48.02 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.415 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -62.57 -34.67 77.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -76.68 -40.46 48.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.819 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.68 93.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.989 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -59.13 -29.99 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -31.96 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 563' ' ' GLY . 22.4 m-70 -73.24 -30.01 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.0 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 563' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 561' ' ' HIS . . . -95.13 -106.97 2.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 60.51 173.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.809 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.65 143.65 30.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.54 162.34 40.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.56 2.173 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -149.55 179.52 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -88.34 110.21 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -153.15 150.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.83 104.23 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.58 158.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -122.9 99.91 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.9 151.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.21 121.36 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.18 -29.05 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 41.6 mm -82.66 151.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -90.41 78.63 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -169.32 -45.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.578 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 72.5 m -87.74 -175.41 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -179.37 54.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.312 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.86 -35.24 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.2 t 48.35 88.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' A' ' 546' ' ' LYS . 20.3 m-85 -102.91 154.95 18.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.72 32.08 6.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -149.13 128.85 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.83 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -56.03 -31.63 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -76.05 -28.66 57.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.12 -37.77 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.52 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -75.96 -34.06 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.419 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 20.1 t60 -79.68 -31.55 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.31 -37.8 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.84 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.816 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -62.83 -45.91 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 34.3 p -74.25 121.93 22.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 79.29 57.03 3.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 161.83 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.69 142.88 25.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.9 120.21 6.71 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.512 2.141 . . . . 0.0 112.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -124.16 -171.38 13.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 5.2 mmpp? -141.04 110.21 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -129.82 115.42 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -126.99 39.42 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -127.32 124.85 39.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -116.89 100.3 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.574 HD13 HG22 ' A' ' 547' ' ' VAL . 26.5 mm -76.04 128.27 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.2 m -76.55 113.61 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -97.57 32.92 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 561' ' ' HIS . 8.4 mt -128.73 127.89 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 59.47 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.68 33.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.727 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -64.01 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 165.87 45.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.604 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.407 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.47 -35.76 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.574 HG22 HD13 ' A' ' 538' ' ' ILE . 84.7 t 49.76 96.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.412 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.13 155.01 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -93.17 25.7 18.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.703 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -142.75 113.04 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -36.16 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -30.25 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -27.92 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.28 -36.92 83.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -62.39 -46.55 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 559' ' ' ARG . . . -68.18 -32.63 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 5.0 t60 -75.86 -30.68 58.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.458 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -36.37 83.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -40.74 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.4 ' HB3' HG21 ' A' ' 541' ' ' ILE . 38.6 m-70 -65.69 -45.87 81.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.9 p -84.49 93.74 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 82.37 120.34 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -107.35 169.57 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.914 179.964 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.788 0.327 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 150.07 91.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 168.87 20.81 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.566 2.177 . . . . 0.0 112.255 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -134.7 -43.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 145.23 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -151.53 121.94 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt 60.36 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 536' ' ' GLN . . . . . 0.542 ' HG2' HG11 ' A' ' 547' ' ' VAL . 0.0 OUTLIER -144.8 150.77 37.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.782 ' CE1' HD22 ' A' ' 554' ' ' LEU . 0.3 OUTLIER -102.45 129.75 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 538' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 537' ' ' HIS . 27.5 mm -131.33 148.81 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -67.42 111.37 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.13 -30.23 67.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 38.0 mm -70.34 152.25 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -85.37 111.66 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 146.22 -43.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.678 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -89.32 175.43 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.921 -179.831 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -167.32 30.75 0.19 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -172.42 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.542 HG11 ' HG2' ' A' ' 536' ' ' GLN . 21.8 t -152.78 132.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -134.14 126.05 29.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -63.79 -30.95 79.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.724 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.63 127.96 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.402 HG22 ' NE2' ' A' ' 537' ' ' HIS . 10.7 p -66.55 -25.96 66.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.776 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.0 t -55.11 -26.95 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -75.93 -28.54 58.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.782 HD22 ' CE1' ' A' ' 537' ' ' HIS . 69.0 tp -63.63 -42.53 98.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.7 ptp180 -64.26 -45.94 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -70.5 -32.59 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -77.01 -37.48 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.24 -40.35 85.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 2.9 t-105 -67.15 -46.45 74.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -59.75 -37.24 78.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.9 p -69.82 102.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.07 43.63 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.6 -46.24 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.817 0.341 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.6 93.42 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.27 171.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.537 2.158 . . . . 0.0 112.402 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -125.53 169.45 17.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.8 134.5 42.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 142.66 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.67 179.81 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -91.88 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 548' ' ' TYR . 9.1 p80 -121.38 147.6 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.52 152.44 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -75.18 97.8 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -64.26 -28.42 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.17 133.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.95 105.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 153.23 -64.14 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.588 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -85.5 176.23 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -175.29 44.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.604 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -91.88 -172.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.781 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.412 ' O ' ' CD1' ' A' ' 548' ' ' TYR . 26.3 t -155.19 141.01 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.243 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.428 ' HB2' ' CE1' ' A' ' 537' ' ' HIS . 24.0 m-85 -146.7 155.0 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -94.91 24.82 26.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.688 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 126.17 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 65.4 p -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -55.27 -27.6 47.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.574 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 -27.0 58.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.084 179.069 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 554' ' ' LEU . 14.2 tp -68.18 -36.18 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.569 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.94 -38.87 92.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.915 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.557 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.33 -34.93 58.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.667 179.489 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 557' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 5.8 t60 -75.46 -31.51 60.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 558' ' ' LEU . 4.9 mt -64.53 -42.77 95.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 1.2 ptm180 -59.19 -29.73 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 560' ' ' TRP . . . . . 0.42 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 1.3 t-105 -68.16 -45.02 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.77 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.46 -37.54 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 18.7 p -115.78 101.53 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.06 75.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -57.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.824 0.345 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.408 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.4 OUTLIER -77.63 -52.7 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 56.7 Cg_exo -51.81 163.28 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.265 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.19 -82.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.23 128.48 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.03 143.14 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 132.54 34.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -89.12 176.17 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.43 136.68 52.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.6 140.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.7 OUTLIER -59.33 113.69 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 541' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 561' ' ' HIS . 1.2 pp -63.5 157.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -86.82 79.93 8.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 178.24 -46.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.609 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -93.87 175.61 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.792 -179.906 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -174.98 35.99 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.589 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -171.77 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.39 126.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.4 p90 -159.0 117.19 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.91 54.54 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.605 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 122.53 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 24.5 p -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 79.6 p -56.51 -35.74 68.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 110.631 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.12 -30.43 58.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.296 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' A' ' 558' ' ' LEU . 2.7 tt -72.24 -33.34 67.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.555 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 4.5 ptm180 -71.75 -39.34 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.99 -32.57 59.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -79.54 -32.47 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.537 ' HG ' HD23 ' A' ' 554' ' ' LEU . 9.1 mt -63.98 -40.86 97.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -59.08 -29.79 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.59 -35.65 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.533 ' CE1' HD11 ' A' ' 541' ' ' ILE . 39.3 m-70 -72.09 -33.21 67.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.3 p -92.57 105.27 17.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 102.88 31.8 4.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.91 -32.93 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.817 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.857 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.404 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.3 OUTLIER -74.79 -60.93 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 65.8 Cg_endo -74.02 127.92 11.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.36 -179.908 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.84 77.97 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 135.14 55.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 152.59 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -105.07 152.83 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -135.41 115.09 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.541 ' HB3' HD11 ' A' ' 554' ' ' LEU . 38.0 m170 -95.15 99.88 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.88 133.8 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -59.79 112.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 53.2 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 24.3 mt -143.58 141.82 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.0 73.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -174.51 -52.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.742 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.7 OUTLIER -98.94 175.31 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.0 -179.742 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -170.38 37.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -171.51 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 16.1 t -137.78 141.77 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.87 154.98 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.29 16.9 14.76 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.729 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.14 134.17 18.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -33.95 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.9 p -55.42 -31.17 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.93 -28.35 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.45 179.469 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 537' ' ' HIS . 2.5 mp -65.96 -35.51 80.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.64 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.3 OUTLIER -62.46 -37.27 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.888 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.507 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.12 -45.16 35.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.27 -29.45 66.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.48 -38.04 86.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.21 -31.96 69.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.936 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -71.64 -32.6 68.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -73.15 -28.62 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.68 -172.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -72.01 -39.32 58.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 63.83 131.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.806 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.405 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.2 OUTLIER -85.78 -52.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 54.5 Cg_exo -51.88 -56.61 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.567 2.178 . . . . 0.0 112.253 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -127.86 143.59 14.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -130.42 136.38 48.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -99.41 126.38 45.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.24 103.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -112.1 146.16 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -90.29 117.3 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.765 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 5.2 mt -121.19 149.95 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 539' ' ' CYS . . . . . 0.421 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.5 OUTLIER -69.69 99.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.65 -29.96 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.2 mt -62.26 120.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.73 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 172.59 -56.55 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.579 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 544' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -70.94 -172.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.071 -179.896 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.94 35.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.286 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 546' ' ' LYS . . . . . 0.422 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -97.01 -171.8 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.88 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 136.41 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 548' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -148.51 143.31 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.78 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -104.42 32.99 6.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.561 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 126.13 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 22.3 m -59.87 -32.77 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 19.2 m -55.96 -30.46 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.465 179.627 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.18 -32.69 59.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.903 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.64 -41.42 75.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.226 179.356 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 552' ' ' SER . 11.1 ptt180 -67.95 -40.07 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.58 -32.58 62.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.795 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -75.57 -30.65 59.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.71 -38.07 88.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 559' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -59.17 -29.78 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.892 -179.819 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -43.89 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 561' ' ' HIS . . . . . 0.657 ' O ' HG22 ' A' ' 562' ' ' THR . 49.2 m-70 -62.84 -37.07 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 562' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 561' ' ' HIS . 8.1 t 50.99 172.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.56 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.11 102.49 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.543 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.35 130.39 35.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.942 179.995 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.799 0.333 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.494 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 1.0 OUTLIER -72.8 -45.78 9.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 52.6 Cg_exo -52.5 110.13 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.316 2.01 . . . . 0.0 112.309 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -120.31 -130.24 3.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 159.62 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 142.86 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -98.66 97.38 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 536' ' ' GLN . . . . . 0.437 ' OE1' HG11 ' A' ' 547' ' ' VAL . 0.4 OUTLIER 59.93 164.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -111.72 113.53 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.52 141.05 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 94.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -59.45 -27.3 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.37 144.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.18 64.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -127.93 -76.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -112.94 -167.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -153.76 45.69 0.57 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.263 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -172.48 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.437 HG11 ' OE1' ' A' ' 536' ' ' GLN . 21.6 t -137.55 136.22 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.16 123.35 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.12 42.34 2.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.05 126.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 78.0 p -63.61 -39.83 95.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 552' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 0.2 OUTLIER -55.81 -31.51 62.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 179.798 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -26.49 56.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.248 179.334 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.676 HD23 HD23 ' A' ' 558' ' ' LEU . 4.2 tt -70.44 -39.29 74.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.647 179.697 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.2 OUTLIER -65.67 -38.26 88.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.712 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.489 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -71.41 -34.2 70.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -77.16 -33.02 56.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.768 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.676 HD23 HD23 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -63.89 -39.39 94.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.709 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -29.95 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.007 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -71.26 -35.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -71.36 -45.37 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.6 p -70.06 103.57 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 81.7 81.31 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.62 -32.07 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.829 0.347 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 530' ' ' ASP . . . . . 0.417 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.7 OUTLIER -59.49 -52.78 71.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 531' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 67.2 Cg_exo -51.06 -177.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.538 2.159 . . . . 0.0 112.386 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.15 25.1 69.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -78.65 170.41 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.722 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.03 116.19 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 535' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 536' ' ' GLN . 0.0 OUTLIER -57.36 -108.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.824 179.543 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 536' ' ' GLN . . . . . 0.549 ' HB3' HG13 ' A' ' 547' ' ' VAL . 27.1 mt-30 85.4 113.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 537' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 554' ' ' LEU . 3.3 m-70 -89.11 116.01 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.09 124.27 65.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.94 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -30.77 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.62 127.08 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.43 103.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 158.0 -65.1 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.556 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -167.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 173.43 39.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -169.89 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 547' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 536' ' ' GLN . 22.6 t -153.11 125.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.196 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.13 154.93 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.97 23.89 20.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.15 133.82 17.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 551' ' ' THR . . . . . 0.406 ' HA ' ' NE2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -70.58 -32.05 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.4 m -56.1 -29.97 61.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.37 59.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 554' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -61.55 -41.17 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.8 179.741 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 555' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 10.7 ptt180 -61.84 -45.57 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.09 -34.27 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.214 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -79.98 -37.89 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 562' ' ' THR . 5.0 tp -60.91 -41.82 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.666 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -58.97 -29.77 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -34.79 75.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.799 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -73.29 -46.01 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 562' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 558' ' ' LEU . 18.9 p -59.05 100.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 92.07 28.52 13.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.96 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.93 179.918 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.53 101.88 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 28.6 mm -112.05 146.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -66.11 96.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -59.32 -30.28 68.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.6 129.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -63.45 106.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 156.41 -53.08 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.592 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -82.78 -168.43 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.32 38.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.256 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 548' ' ' TYR . 14.2 ptmt -96.24 -172.14 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.976 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.37 140.39 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.403 ' CE2' ' HE2' ' A' ' 546' ' ' LYS . 7.6 m-85 -136.5 154.95 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.79 -28.74 2.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.751 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.16 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -70.56 -31.62 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 8.6 t -57.28 -30.6 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -28.33 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -45.16 83.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -51.68 68.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.16 -32.66 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -79.67 -33.34 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -38.87 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.87 67.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -34.12 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -71.85 -45.84 60.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.479 ' HG ' ' CE1' ' A' ' 561' ' ' HIS . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.479 ' CE1' ' HG ' ' A' ' 544' ' ' CYS . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.446 ' HB3' HD11 ' A' ' 554' ' ' LEU . 1.6 m-70 -86.53 120.42 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 23.4 mm -123.36 139.79 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.0 OUTLIER -65.31 91.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.804 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.35 -29.53 67.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.75 126.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.14 103.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 161.77 -58.18 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -78.4 -171.79 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.993 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 179.65 36.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.276 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -96.84 -171.52 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.95 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.74 121.02 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.441 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 1.7 m-85 -127.79 154.93 44.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.21 36.17 2.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 124.2 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -44.21 67.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 12.3 p -56.62 -33.05 65.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.793 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -30.59 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.715 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -58.43 -39.52 80.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -75.24 -34.62 61.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.437 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 5.2 t60 -75.89 -32.91 59.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -44.86 89.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.998 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -59.16 -29.95 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -40.55 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.437 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 29.2 m-70 -64.16 -43.89 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -90.23 108.88 20.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.813 HG23 ' O ' ' A' ' 546' ' ' LYS . 41.4 mt -124.04 142.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 120.2 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.794 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -115.96 51.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.419 HD11 ' HE1' ' A' ' 561' ' ' HIS . 1.4 pt -112.75 36.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 46.42 33.67 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -148.94 -69.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.75 -174.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.813 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -84.57 -169.81 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.35 138.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 553' ' ' HIS . 1.1 m-85 -147.32 154.72 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.63 23.85 3.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.635 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 120.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -36.48 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 37.7 m -58.83 -33.22 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 17.0 m80 -73.78 -28.76 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -42.71 78.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.51 -50.93 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.73 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.14 -35.74 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -37.83 81.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -59.22 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -46.59 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.419 ' HE1' HD11 ' A' ' 541' ' ' ILE . 64.0 m-70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.801 0.334 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.484 ' O ' HD13 ' A' ' 538' ' ' ILE . 0.8 OUTLIER -106.01 119.74 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 537' ' ' HIS . 26.1 mm -130.97 157.74 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.465 ' N ' HG22 ' A' ' 538' ' ' ILE . 3.4 t -66.82 109.69 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -27.41 62.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.635 HD11 HD11 ' A' ' 558' ' ' LEU . 4.9 mt -82.96 145.77 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.9 61.21 2.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -123.49 -75.11 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.502 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 17.5 p -107.79 -168.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -145.77 34.14 1.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.387 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -71.93 -171.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.7 t -147.62 154.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.507 ' OH ' HD13 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -144.59 155.01 43.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.38 -65.74 2.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.825 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 164.23 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.255 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 2.9 m -61.16 -26.02 67.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -27.57 46.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -75.44 -28.14 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.507 HD13 ' OH ' ' A' ' 548' ' ' TYR . 35.0 tp -56.72 -41.81 78.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -51.63 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.058 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.56 -32.69 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -79.06 -39.23 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 541' ' ' ILE . 8.6 tp -61.61 -42.91 99.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.039 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.16 -29.75 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.0 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.45 -30.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -121.24 109.14 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 9.9 mt -102.55 141.86 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -60.47 121.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . 0.454 ' O ' HD13 ' A' ' 541' ' ' ILE . 11.2 m80 -96.8 33.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 540' ' ' HIS . 39.3 mm -123.74 151.79 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -75.72 77.33 2.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.34 -42.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.757 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.6 OUTLIER -104.16 175.04 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 111.085 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -172.12 33.37 0.13 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.232 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -94.84 -171.7 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.25 123.8 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.9 p90 -149.68 100.58 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.27 59.54 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -149.16 113.09 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 7.0 m -62.58 -41.55 99.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.4 p -58.44 -36.58 73.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -29.31 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.403 HD13 ' HE2' ' A' ' 548' ' ' TYR . 35.4 tp -65.93 -37.86 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.793 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 13.4 ptt85 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.4 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -76.1 -36.79 58.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -75.43 -31.57 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.6 -38.5 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.355 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -29.96 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.039 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -44.67 70.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 544' ' ' CYS . 44.9 m-70 -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.482 ' O ' HD13 ' A' ' 538' ' ' ILE . 1.2 m-70 -78.39 110.24 13.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 537' ' ' HIS . 25.1 mm -128.04 140.92 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -27.27 63.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.36 150.7 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 101.35 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 159.49 -60.76 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.608 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -172.91 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.97 38.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.397 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.67 -171.65 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.3 t -135.58 124.7 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.45 154.86 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.69 34.68 2.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -148.56 124.51 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.6 t -70.3 -35.9 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 4.2 m -58.62 -33.8 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -75.93 -28.83 58.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.68 -33.26 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 12.5 ptt180 -63.53 -47.26 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.66 -32.51 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.23 -38.07 36.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.79 -44.27 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -59.13 -29.97 67.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -37.05 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -68.97 -43.65 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.746 0.308 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.84 121.63 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.01 144.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.506 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.9 OUTLIER -68.9 97.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -26.81 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.06 151.56 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -77.73 105.0 8.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 151.89 -63.94 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -82.5 175.64 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.63 35.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -171.56 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.3 t -124.06 158.92 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.483 ' N ' HG12 ' A' ' 547' ' ' VAL . 3.1 m-85 -151.4 154.92 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -110.18 -26.3 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.664 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -122.57 140.44 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 -30.01 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -55.3 -28.43 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.686 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 12.5 m170 -75.2 -27.37 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.577 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 8.1 ptt85 -64.03 -47.0 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.75 -33.17 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.449 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 3.1 t60 -79.17 -37.16 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 558' ' ' LEU . 12.1 mt -60.4 -45.38 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.419 ' HA ' HG22 ' A' ' 562' ' ' THR . 13.9 ptm180 -59.05 -29.89 67.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -70.73 -31.84 68.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.449 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 17.9 m-70 -72.8 -45.84 56.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 562' ' ' THR . 9.1 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.06 116.44 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -114.31 148.13 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 116.92 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.09 25.02 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 49.9 mm -122.02 150.07 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.786 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 64.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.722 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -133.39 -80.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.597 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.4 -172.6 2.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 111.027 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -143.01 38.7 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.427 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -67.92 -172.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.35 135.4 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -147.47 146.48 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -103.07 32.19 7.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.57 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -149.15 117.5 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.8 p -59.17 -29.46 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.0 -32.42 59.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.94 -43.47 81.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -59.28 -51.69 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.12 -33.97 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.42 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 7.5 t60 -79.38 -38.18 35.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -43.7 93.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -59.15 -29.91 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -38.49 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -65.77 -44.27 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 25.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -120.34 103.26 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.44 152.22 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.0 OUTLIER -74.29 114.2 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.84 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.75 151.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.208 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -82.82 58.75 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -164.44 -51.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.9 OUTLIER -90.36 176.0 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.89 41.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.691 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -170.53 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.727 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.6 136.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -132.99 151.57 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.21 14.16 65.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.718 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -149.21 131.36 15.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.3 t -68.88 -29.09 67.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 33.4 m -56.16 -32.18 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -28.25 63.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -43.33 80.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.736 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -51.75 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.7 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -79.72 -34.8 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.74 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -29.84 67.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -33.46 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.685 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -72.39 -45.65 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.479 ' HG ' ' CE1' ' A' ' 561' ' ' HIS . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.479 ' CE1' ' HG ' ' A' ' 544' ' ' CYS . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.787 0.327 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.898 ' NE2' HG22 ' A' ' 551' ' ' THR . 2.4 m-70 -109.89 99.82 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.69 143.91 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -78.5 104.98 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -58.8 -31.57 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.694 HD13 ' CG ' ' A' ' 561' ' ' HIS . 3.7 mt -59.55 116.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.89 89.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 167.65 -48.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.59 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -87.71 -178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 167.67 49.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.443 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -79.71 -35.66 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.6 t 57.12 87.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.015 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.443 ' CE2' ' HE3' ' A' ' 546' ' ' LYS . 14.8 m-85 -99.71 154.9 17.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -99.78 32.94 6.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -149.15 127.11 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . 0.898 HG22 ' NE2' ' A' ' 537' ' ' HIS . 12.5 p -70.51 -34.37 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.8 m -56.92 -31.63 65.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -28.37 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.631 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.433 HD22 ' CG ' ' A' ' 537' ' ' HIS . 4.6 tp -63.57 -36.49 83.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 3.9 ptm180 -66.07 -46.83 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.5 -32.56 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.443 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 10.4 t60 -77.96 -37.73 46.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.12 -40.4 85.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -59.09 -29.86 67.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -46.25 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.694 ' CG ' HD13 ' A' ' 541' ' ' ILE . 48.4 m-70 -59.87 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.71 104.77 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.606 HG23 HG22 ' A' ' 547' ' ' VAL . 3.7 mp -103.45 145.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.14 98.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -56.85 -28.51 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.05 150.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -81.59 59.35 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -120.82 -79.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.599 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 15.8 p -115.79 -165.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -159.15 60.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HE2' ' CG ' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -77.55 -35.44 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.974 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.606 HG22 HG23 ' A' ' 538' ' ' ILE . 74.7 t 53.71 86.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -98.33 154.91 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.11 28.47 13.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.27 127.75 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.2 t -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 44.5 m -58.29 -33.09 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -75.98 -29.39 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.59 -35.21 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 7.6 ptt180 -63.3 -46.51 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -65.19 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.461 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 8.7 t60 -73.7 -40.06 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.98 -46.38 89.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -59.13 -29.98 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -35.78 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.461 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 19.7 m-70 -68.0 -39.96 83.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.6 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.808 0.337 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 107.85 15.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 546' ' ' LYS . 6.5 mt -111.82 141.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.96 122.68 9.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 35.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 561' ' ' HIS . 2.2 pp -127.0 153.3 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.049 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -74.11 83.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 169.76 -42.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.741 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.75 173.14 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 111.064 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.39 33.94 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.3 OUTLIER -86.73 -171.51 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 548' ' ' TYR . 26.1 t -124.04 158.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.486 ' N ' HG12 ' A' ' 547' ' ' VAL . 4.5 m-85 -158.35 154.96 27.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.37 19.73 5.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.724 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -149.14 131.5 15.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -69.12 -37.72 78.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -31.51 61.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.471 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -73.71 -27.6 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.04 -36.87 80.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.609 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.544 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.68 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.544 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.23 -37.36 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.66 -29.66 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.91 -37.29 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -46.78 66.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 541' ' ' ILE . 59.8 m-70 -59.58 -42.84 93.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -102.25 103.89 14.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 7.1 mt -111.99 134.95 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 93.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -57.1 -25.08 58.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 542' ' ' GLN . 1.4 mp -68.43 161.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.048 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 541' ' ' ILE . 9.9 mp0 -69.53 -9.85 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.629 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 561' ' ' HIS . . . -53.75 -101.1 0.01 OUTLIER Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.832 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.7 -168.16 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -146.65 29.78 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -171.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.6 t -124.66 157.54 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.465 ' N ' HG12 ' A' ' 547' ' ' VAL . 11.9 m-85 -159.08 154.97 26.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -122.9 18.0 8.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.661 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -149.2 133.38 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.4 t -67.69 -34.06 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -31.76 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.74 -28.04 61.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.432 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.668 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.07 -36.5 84.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.501 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.94 -44.53 39.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.822 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.451 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 11.9 t60 -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.45 -46.41 69.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.007 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -59.42 -29.97 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -33.74 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.451 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 21.3 m-70 -70.89 -33.71 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 8.2 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.971 -179.949 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 2.0 m-70 -84.45 117.21 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.67 146.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 121.18 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -96.83 29.54 3.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.588 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.71 150.7 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.1 66.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -131.64 -82.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.5 p -119.08 -165.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -151.82 47.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.425 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -81.44 -172.35 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 25.0 t -155.02 133.45 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 537' ' ' HIS . 0.3 OUTLIER -145.21 148.32 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -100.67 30.98 9.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -149.11 123.37 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.6 m -58.94 -29.59 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 2.3 m -56.23 -32.79 64.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.722 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -30.93 58.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.187 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 554' ' ' LEU . 6.8 tt -70.26 -36.59 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.459 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -68.57 -38.75 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.562 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.11 -41.89 60.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.452 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 12.9 t60 -74.03 -33.06 63.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.22 -45.92 82.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.05 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.779 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -40.41 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.452 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 24.7 m-70 -63.93 -45.87 87.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . 0.622 ' HB3' HG13 ' A' ' 547' ' ' VAL . 56.7 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -113.03 104.7 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.805 ' CD1' HG22 ' A' ' 547' ' ' VAL . 22.3 mm -91.69 151.76 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 2.5 t -70.66 118.32 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . 0.574 ' CE1' HD11 ' A' ' 541' ' ' ILE . 9.4 p80 -58.07 -28.72 64.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.574 HD11 ' CE1' ' A' ' 540' ' ' HIS . 2.6 mt -85.95 124.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.0 108.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 154.75 -58.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.404 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -64.91 -167.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.45 58.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -34.94 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.805 HG22 ' CD1' ' A' ' 538' ' ' ILE . 75.8 t 54.17 82.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.38 154.93 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.11 -22.64 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.641 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.99 126.46 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 39.6 p -70.55 -27.78 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.4 p -55.31 -31.05 61.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -28.47 57.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -33.64 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -62.77 -42.5 99.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.59 59.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -73.96 -31.87 63.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.41 ' O ' HG22 ' A' ' 562' ' ' THR . 0.1 OUTLIER -64.19 -38.63 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.073 -179.701 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -59.13 -29.84 67.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -47.21 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -59.35 -45.5 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 562' ' ' THR . 7.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.797 0.332 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.512 ' HB3' HD12 ' A' ' 554' ' ' LEU . 3.0 m-70 -105.13 120.57 41.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 546' ' ' LYS . 3.7 mp -124.58 155.81 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 538' ' ' ILE . 0.5 OUTLIER -59.07 123.9 18.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -64.23 -30.38 71.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.691 HD11 ' HE1' ' A' ' 561' ' ' HIS . 2.5 pt -79.97 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.7 -21.28 59.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.294 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -50.33 -57.11 10.79 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.898 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 86.8 m -90.26 -176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.93 38.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.6 OUTLIER -92.34 -171.23 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.69 138.06 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -157.37 125.15 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.11 46.17 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -149.15 121.66 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 27.8 m -64.19 -42.27 96.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -31.17 61.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.4 . . . . 0.0 110.525 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.24 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.108 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 537' ' ' HIS . 5.0 tt -70.1 -37.61 75.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.4 OUTLIER -65.73 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.558 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.93 -32.95 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -78.99 -30.44 44.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.4 -39.32 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -59.1 -29.8 67.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -69.85 -34.69 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.691 ' HE1' HD11 ' A' ' 541' ' ' ILE . 53.0 m-70 -74.09 -41.77 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 66.5 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.801 0.334 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -102.76 99.83 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 30.8 mt -80.09 149.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 4.0 t -60.21 147.77 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -67.37 -51.2 55.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.56 HD11 ' HE1' ' A' ' 561' ' ' HIS . 3.3 pt -68.79 154.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -87.01 56.31 3.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -145.63 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.672 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -64.98 -166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.52 47.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -84.7 -37.5 20.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.4 t 57.04 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.43 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 2.7 m-85 -104.5 154.94 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -92.5 17.27 57.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.715 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.15 126.67 11.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.56 -28.31 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -31.95 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -30.58 58.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.13 -30.6 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 5.0 ptm180 -60.33 -46.46 89.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.708 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -71.15 -32.53 69.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 16.8 t60 -75.22 -36.69 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -42.89 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 562' ' ' THR . 0.3 OUTLIER -59.06 -29.64 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.743 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.5 OUTLIER -65.81 -43.63 88.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.56 ' HE1' HD11 ' A' ' 541' ' ' ILE . 55.7 m-70 -63.19 -45.87 89.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.0 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 559' ' ' ARG . 8.8 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.802 0.334 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.416 ' CD2' HD13 ' A' ' 554' ' ' LEU . 0.9 OUTLIER -104.12 102.11 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 538' ' ' ILE . 3.8 mp -91.18 128.29 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.405 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -78.18 106.19 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -95.88 40.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.437 . . . . 0.0 110.555 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 561' ' ' HIS . 4.1 mt -124.66 123.52 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.283 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.23 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -177.17 39.83 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.613 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.405 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.0 OUTLIER -62.67 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.671 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.8 35.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -170.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.5 t -139.48 157.37 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.064 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' HG12 ' A' ' 547' ' ' VAL . 1.9 m-85 -159.13 154.9 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.87 17.27 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.713 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.15 128.49 12.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -30.44 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.3 m -56.75 -31.62 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -75.99 -31.14 58.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.537 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -60.4 -34.57 74.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.6 OUTLIER -59.67 -38.83 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.04 -53.93 7.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -60.74 -27.09 67.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.89 -34.77 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -61.51 -31.63 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -46.43 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.737 ' HB3' HG21 ' A' ' 541' ' ' ILE . 41.1 m-70 -58.81 -32.21 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 36.8 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.969 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . 0.487 ' HG3' HD11 ' A' ' 538' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.843 0.354 . . . . 0.0 110.821 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -90.62 115.17 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' A' ' 536' ' ' GLN . 1.6 mt -122.19 137.74 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 123.09 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.975 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 30.41 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 5.4 mt -121.44 138.5 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 84.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 175.8 -59.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.591 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.25 -175.17 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.08 38.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.207 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -97.47 -168.78 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.14 94.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.07 154.91 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -124.98 39.36 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -149.11 113.4 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.0 t -66.1 -39.87 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.8 m -59.18 -32.84 70.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.738 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.62 -30.17 59.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.09 -30.48 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 9.7 ptp180 -57.15 -46.32 82.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -73.65 -32.84 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.62 -34.06 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 558' ' ' LEU . 11.7 mt -68.69 -44.01 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.07 -29.9 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.033 -179.754 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -69.53 -30.35 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.765 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.96 -36.55 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -86.6 99.96 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.93 149.37 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.01 104.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -58.06 -30.95 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 542' ' ' GLN . 6.7 mt -65.3 159.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . 0.504 ' N ' HG22 ' A' ' 541' ' ' ILE . 5.4 pt20 -92.14 36.52 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -98.9 -67.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 23.8 p -111.06 -169.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -152.62 41.31 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -83.95 -170.79 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.5 t -134.6 159.41 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.484 ' N ' HG12 ' A' ' 547' ' ' VAL . 17.0 m-85 -157.18 155.01 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.64 -26.39 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.6 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -119.28 138.36 53.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.005 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 31.8 p -63.28 -27.79 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.3 t -55.14 -28.79 55.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.775 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -75.85 -28.7 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -34.84 74.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.0 OUTLIER -62.18 -48.02 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.415 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -62.57 -34.67 77.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.443 ' CE1' ' NE2' ' A' ' 561' ' ' HIS . 17.7 t60 -76.68 -40.46 48.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.819 179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.68 93.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.989 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -59.13 -29.99 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -31.96 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.443 ' NE2' ' CE1' ' A' ' 557' ' ' HIS . 22.4 m-70 -73.24 -30.01 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -122.9 99.91 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.9 151.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.21 121.36 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.18 -29.05 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 41.6 mm -82.66 151.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -90.41 78.63 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -169.32 -45.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.578 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 72.5 m -87.74 -175.41 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -179.37 54.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.312 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.86 -35.24 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.2 t 48.35 88.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' A' ' 546' ' ' LYS . 20.3 m-85 -102.91 154.95 18.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.72 32.08 6.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -149.13 128.85 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.83 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -56.03 -31.63 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -76.05 -28.66 57.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.12 -37.77 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.52 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -75.96 -34.06 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.419 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 20.1 t60 -79.68 -31.55 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.31 -37.8 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.84 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.816 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -62.83 -45.91 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 34.3 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.996 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -116.89 100.3 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.574 HD13 HG22 ' A' ' 547' ' ' VAL . 26.5 mm -76.04 128.27 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.2 m -76.55 113.61 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -97.57 32.92 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 561' ' ' HIS . 8.4 mt -128.73 127.89 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 59.47 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.68 33.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.727 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -64.01 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 165.87 45.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.604 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.407 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.47 -35.76 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.574 HG22 HD13 ' A' ' 538' ' ' ILE . 84.7 t 49.76 96.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.412 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.13 155.01 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -93.17 25.7 18.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.703 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -142.75 113.04 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -36.16 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -30.25 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -27.92 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.28 -36.92 83.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -62.39 -46.55 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 559' ' ' ARG . . . -68.18 -32.63 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 5.0 t60 -75.86 -30.68 58.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.458 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -36.37 83.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -40.74 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.4 ' HB3' HG21 ' A' ' 541' ' ' ILE . 38.6 m-70 -65.69 -45.87 81.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . 0.542 ' HG2' HG11 ' A' ' 547' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.92 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.782 ' CE1' HD22 ' A' ' 554' ' ' LEU . 0.3 OUTLIER -102.45 129.75 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 537' ' ' HIS . 27.5 mm -131.33 148.81 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -67.42 111.37 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.13 -30.23 67.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 38.0 mm -70.34 152.25 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -85.37 111.66 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 146.22 -43.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.678 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -89.32 175.43 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.921 -179.831 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -167.32 30.75 0.19 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -172.42 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.542 HG11 ' HG2' ' A' ' 536' ' ' GLN . 21.8 t -152.78 132.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -134.14 126.05 29.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -63.79 -30.95 79.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.724 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.63 127.96 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . 0.402 HG22 ' NE2' ' A' ' 537' ' ' HIS . 10.7 p -66.55 -25.96 66.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.0 t -55.11 -26.95 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -75.93 -28.54 58.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.782 HD22 ' CE1' ' A' ' 537' ' ' HIS . 69.0 tp -63.63 -42.53 98.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.7 ptp180 -64.26 -45.94 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -70.5 -32.59 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -77.01 -37.48 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.24 -40.35 85.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 2.9 t-105 -67.15 -46.45 74.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -59.75 -37.24 78.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.817 0.342 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 548' ' ' TYR . 9.1 p80 -121.38 147.6 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.52 152.44 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -75.18 97.8 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -64.26 -28.42 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.17 133.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.95 105.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 153.23 -64.14 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.588 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -85.5 176.23 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -175.29 44.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.604 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -91.88 -172.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.781 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.412 ' O ' ' CD1' ' A' ' 548' ' ' TYR . 26.3 t -155.19 141.01 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.243 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.428 ' HB2' ' CE1' ' A' ' 537' ' ' HIS . 24.0 m-85 -146.7 155.0 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -94.91 24.82 26.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.688 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 126.17 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 65.4 p -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -55.27 -27.6 47.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.574 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 -27.0 58.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.084 179.069 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 554' ' ' LEU . 14.2 tp -68.18 -36.18 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.569 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.94 -38.87 92.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.915 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.557 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.33 -34.93 58.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.667 179.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 5.8 t60 -75.46 -31.51 60.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 558' ' ' LEU . 4.9 mt -64.53 -42.77 95.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 1.2 ptm180 -59.19 -29.73 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . 0.42 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 1.3 t-105 -68.16 -45.02 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.77 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.46 -37.54 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.43 136.68 52.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.6 140.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.7 OUTLIER -59.33 113.69 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 561' ' ' HIS . 1.2 pp -63.5 157.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -86.82 79.93 8.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 178.24 -46.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.609 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -93.87 175.61 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.792 -179.906 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -174.98 35.99 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.589 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -171.77 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.39 126.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.4 p90 -159.0 117.19 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.91 54.54 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.605 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 122.53 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 24.5 p -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 79.6 p -56.51 -35.74 68.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 110.631 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.12 -30.43 58.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.296 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' A' ' 558' ' ' LEU . 2.7 tt -72.24 -33.34 67.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.555 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 4.5 ptm180 -71.75 -39.34 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.99 -32.57 59.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -79.54 -32.47 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.537 ' HG ' HD23 ' A' ' 554' ' ' LEU . 9.1 mt -63.98 -40.86 97.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -59.08 -29.79 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.59 -35.65 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.533 ' CE1' HD11 ' A' ' 541' ' ' ILE . 39.3 m-70 -72.09 -33.21 67.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.999 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.541 ' HB3' HD11 ' A' ' 554' ' ' LEU . 9.9 m-70 -95.15 99.88 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.88 133.8 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -59.79 112.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 53.2 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 24.3 mt -143.58 141.82 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.0 73.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -174.51 -52.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.742 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.7 OUTLIER -98.94 175.31 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.0 -179.742 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -170.38 37.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -171.51 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 16.1 t -137.78 141.77 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.87 154.98 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.29 16.9 14.76 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.729 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.14 134.17 18.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -33.95 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.9 p -55.42 -31.17 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.93 -28.35 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.45 179.469 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 537' ' ' HIS . 2.5 mp -65.96 -35.51 80.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.64 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.3 OUTLIER -62.46 -37.27 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.888 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.507 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.12 -45.16 35.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.27 -29.45 66.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.48 -38.04 86.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.21 -31.96 69.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.936 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -71.64 -32.6 68.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -73.15 -28.62 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.879 0.371 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -90.29 117.3 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.765 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 5.2 mt -121.19 149.95 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . 0.421 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.5 OUTLIER -69.69 99.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.65 -29.96 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.2 mt -62.26 120.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.73 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 172.59 -56.55 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.579 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -70.94 -172.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.071 -179.896 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.94 35.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.286 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . 0.422 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -97.01 -171.8 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.88 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 136.41 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -148.51 143.31 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.78 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -104.42 32.99 6.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.561 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 126.13 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 22.3 m -59.87 -32.77 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 19.2 m -55.96 -30.46 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.465 179.627 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.18 -32.69 59.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.903 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.64 -41.42 75.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.226 179.356 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 552' ' ' SER . 11.1 ptt180 -67.95 -40.07 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.58 -32.58 62.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.795 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -75.57 -30.65 59.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.71 -38.07 88.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -59.17 -29.78 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.892 -179.819 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -43.89 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . 0.657 ' O ' HG22 ' A' ' 562' ' ' THR . 49.2 m-70 -62.84 -37.07 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 561' ' ' HIS . 8.1 t . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.56 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . 0.437 ' OE1' HG11 ' A' ' 547' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.324 . . . . 0.0 110.844 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -111.72 113.53 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.52 141.05 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 94.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -59.45 -27.3 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.37 144.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.18 64.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -127.93 -76.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -112.94 -167.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -153.76 45.69 0.57 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.263 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -172.48 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.437 HG11 ' OE1' ' A' ' 536' ' ' GLN . 21.6 t -137.55 136.22 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.16 123.35 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.12 42.34 2.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.05 126.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 78.0 p -63.61 -39.83 95.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 0.2 OUTLIER -55.81 -31.51 62.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 179.798 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -26.49 56.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.248 179.334 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.676 HD23 HD23 ' A' ' 558' ' ' LEU . 4.2 tt -70.44 -39.29 74.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.647 179.697 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.2 OUTLIER -65.67 -38.26 88.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.712 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.489 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -71.41 -34.2 70.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -77.16 -33.02 56.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.768 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.676 HD23 HD23 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -63.89 -39.39 94.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.709 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -29.95 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.007 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -71.26 -35.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -71.36 -45.37 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 536' ' ' GLN . . . . . 0.549 ' HB3' HG13 ' A' ' 547' ' ' VAL . 27.1 mt-30 . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.92 0.39 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 537' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 554' ' ' LEU . 3.3 m-70 -89.11 116.01 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.09 124.27 65.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.94 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -30.77 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.62 127.08 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.43 103.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 158.0 -65.1 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.556 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -167.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 173.43 39.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -169.89 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 547' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 536' ' ' GLN . 22.6 t -153.11 125.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.196 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.13 154.93 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.97 23.89 20.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.15 133.82 17.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 551' ' ' THR . . . . . 0.406 ' HA ' ' NE2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -70.58 -32.05 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.4 m -56.1 -29.97 61.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.37 59.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 554' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -61.55 -41.17 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.8 179.741 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 555' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 10.7 ptt180 -61.84 -45.57 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 556' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.09 -34.27 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.214 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -79.98 -37.89 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 562' ' ' THR . 5.0 tp -60.91 -41.82 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.666 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -58.97 -29.77 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -34.79 75.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.799 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -73.29 -46.01 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 562' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 558' ' ' LEU . 18.9 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.802 0.334 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.408 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.1 OUTLIER -68.85 -60.68 4.22 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.408 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 58.9 Cg_endo -71.84 -174.89 1.44 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.513 2.142 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 86.04 -169.03 41.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.83 134.41 54.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.08 157.93 17.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -130.69 140.24 50.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.12 156.08 16.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -95.53 101.88 13.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 28.6 mm -112.05 146.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -66.11 96.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -59.32 -30.28 68.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.6 129.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -63.45 106.19 0.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 156.41 -53.08 0.42 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.592 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -82.78 -168.43 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 0.0 110.951 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.32 38.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.256 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.403 ' HE2' ' CE2' ' A' ' 548' ' ' TYR . 14.2 ptmt -96.24 -172.14 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.976 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.37 140.39 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.403 ' CE2' ' HE2' ' A' ' 546' ' ' LYS . 7.6 m-85 -136.5 154.95 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.79 -28.74 2.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.751 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 137.16 47.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.805 0.336 . . . . 0.0 111.074 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -70.56 -31.62 68.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 8.6 t -57.28 -30.6 64.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.771 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.99 -28.33 61.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -45.16 83.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.641 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -51.68 68.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -61.16 -32.66 72.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.835 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -79.67 -33.34 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.5 -38.87 92.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.127 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -29.87 67.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.52 -34.12 65.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -71.85 -45.84 60.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 29.8 p -77.51 -44.66 28.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -77.0 75.08 1.77 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -128.73 -46.5 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 3.0 ptt180 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.846 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.78 0.324 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.65 111.23 8.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.55 114.23 3.42 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.422 2.081 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 120.59 120.75 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -98.46 140.84 32.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -140.57 165.19 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.7 mttt 60.64 158.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -97.51 -177.66 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p -97.31 36.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -160.16 34.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.06 175.66 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.806 0.336 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.86 105.77 14.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.22 -35.86 18.06 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.42 2.08 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.54 -102.34 1.73 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.566 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -107.48 157.3 18.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -152.91 140.52 19.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.72 138.48 25.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 60.07 -178.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.446 ' HB3' HD11 ' A' ' 554' ' ' LEU . 1.6 m-70 -86.53 120.42 27.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 23.4 mm -123.36 139.79 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.0 OUTLIER -65.31 91.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.804 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -59.35 -29.53 67.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.3 mt -59.75 126.39 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -60.14 103.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 161.77 -58.18 0.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.57 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -78.4 -171.79 2.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.993 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 179.65 36.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.276 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.441 ' HE3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -96.84 -171.52 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.78 0.324 . . . . 0.0 110.95 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.74 121.02 46.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.441 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 1.7 m-85 -127.79 154.93 44.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.21 36.17 2.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 124.2 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.57 -44.21 67.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 12.3 p -56.62 -33.05 65.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.793 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -30.59 58.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.555 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -60.05 -37.62 80.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.715 179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -58.43 -39.52 80.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -75.24 -34.62 61.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -75.89 -32.91 59.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -44.86 89.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.998 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -59.16 -29.95 67.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -40.55 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -64.16 -43.89 93.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.9 p -91.28 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 113.96 36.59 1.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.497 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -146.58 -48.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.773 0.321 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.862 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.848 0.356 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.95 112.35 5.73 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.9 98.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.479 2.119 . . . . 0.0 112.334 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 162.67 -173.88 38.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.364 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.53 166.45 21.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.842 0.353 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.88 137.76 45.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -106.54 39.91 1.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -89.07 123.81 33.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -90.23 108.88 20.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.813 HG23 ' O ' ' A' ' 546' ' ' LYS . 41.4 mt -124.04 142.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 120.2 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.794 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -115.96 51.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.419 HD11 ' HE1' ' A' ' 561' ' ' HIS . 1.4 pt -112.75 36.04 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 46.42 33.67 2.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.301 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -148.94 -69.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.663 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -68.75 -174.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 178.53 37.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.533 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.813 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -84.57 -169.81 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.844 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.35 138.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.194 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 553' ' ' HIS . 1.1 m-85 -147.32 154.72 41.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.798 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -134.63 23.85 3.55 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.635 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.16 120.61 7.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -36.48 78.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 37.7 m -58.83 -33.22 70.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 17.0 m80 -73.78 -28.76 61.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.743 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.48 -42.71 78.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.699 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -56.51 -50.93 70.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.73 69.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -78.14 -35.74 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.29 -37.83 81.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -59.22 -31.2 68.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.963 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.22 -46.59 76.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.419 ' HE1' HD11 ' A' ' 541' ' ' ILE . 64.0 m-70 -60.33 -32.77 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 1.6 p -75.91 131.71 39.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 77.71 57.15 3.62 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -45.61 74.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.871 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.925 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.802 0.334 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.1 113.48 28.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.93 -33.35 61.58 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.356 2.037 . . . . 0.0 112.292 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 135.52 -162.19 24.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 46.4 tttt -120.47 142.76 48.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.03 137.98 54.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -78.46 117.62 19.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -133.64 148.27 51.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.484 ' O ' HD13 ' A' ' 538' ' ' ILE . 0.8 OUTLIER -106.01 119.74 39.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 537' ' ' HIS . 26.1 mm -130.97 157.74 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.465 ' N ' HG22 ' A' ' 538' ' ' ILE . 3.4 t -66.82 109.69 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -27.41 62.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.718 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.635 HD11 HD11 ' A' ' 558' ' ' LEU . 4.9 mt -82.96 145.77 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -77.9 61.21 2.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -123.49 -75.11 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.502 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 17.5 p -107.79 -168.94 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -145.77 34.14 1.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.387 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -71.93 -171.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.7 t -147.62 154.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.507 ' OH ' HD13 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -144.59 155.01 43.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.38 -65.74 2.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.825 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 164.23 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.928 0.394 . . . . 0.0 111.255 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 2.9 m -61.16 -26.02 67.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.129 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -55.1 -27.57 46.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.807 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -75.44 -28.14 59.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.668 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.507 HD13 ' OH ' ' A' ' 548' ' ' TYR . 35.0 tp -56.72 -41.81 78.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -51.63 68.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.058 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.56 -32.69 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -79.06 -39.23 34.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.823 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 541' ' ' ILE . 8.6 tp -61.61 -42.91 99.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.039 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -59.16 -29.75 67.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -71.34 -32.0 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.45 -30.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.9 t -97.78 30.62 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -132.42 -93.78 0.57 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.429 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 63.02 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.714 0.293 . . . . 0.0 111.077 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.814 0.34 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.421 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.4 OUTLIER -82.14 -52.38 0.73 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.421 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 44.2 Cg_exo -56.39 151.14 46.59 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.449 2.099 . . . . 0.0 112.25 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -88.32 -52.73 2.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.466 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -147.0 123.46 11.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.99 168.15 19.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 6.7 tttm 62.53 157.37 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.26 126.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -121.24 109.14 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 9.9 mt -102.55 141.86 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -60.47 121.02 11.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . 0.454 ' O ' HD13 ' A' ' 541' ' ' ILE . 11.2 m80 -96.8 33.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 540' ' ' HIS . 39.3 mm -123.74 151.79 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.06 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -75.72 77.33 2.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.961 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.34 -42.27 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.757 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.441 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.6 OUTLIER -104.16 175.04 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 111.085 -179.784 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -172.12 33.37 0.13 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.232 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 1.9 ptmt -94.84 -171.7 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.941 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.25 123.8 47.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.9 p90 -149.68 100.58 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.27 59.54 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -149.16 113.09 5.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 7.0 m -62.58 -41.55 99.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 7.4 p -58.44 -36.58 73.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.721 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -29.31 58.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.59 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.403 HD13 ' HE2' ' A' ' 548' ' ' TYR . 35.4 tp -65.93 -37.86 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.793 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 13.4 ptt85 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.4 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -76.1 -36.79 58.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.003 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -75.43 -31.57 60.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.92 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.6 -38.5 87.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.355 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -29.96 67.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.039 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -44.67 70.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 544' ' ' CYS . 44.9 m-70 -61.09 -31.24 70.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.2 p -80.11 87.99 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 111.75 135.27 6.6 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -146.24 -47.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.867 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.798 0.333 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -157.76 121.61 2.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 101.5 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.464 2.109 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 150.88 -144.01 11.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -113.62 152.07 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.65 143.93 26.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 35.5 mttm 60.07 -178.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -113.01 143.7 43.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.482 ' O ' HD13 ' A' ' 538' ' ' ILE . 1.2 m-70 -78.39 110.24 13.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 537' ' ' HIS . 25.1 mm -128.04 140.92 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.91 86.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -27.27 63.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.36 150.7 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 101.35 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 159.49 -60.76 0.31 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.608 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.74 -172.91 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 111.013 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.97 38.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.397 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -91.67 -171.65 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.3 t -135.58 124.7 40.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.45 154.86 51.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.69 34.68 2.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -148.56 124.51 10.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.6 t -70.3 -35.9 73.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 4.2 m -58.62 -33.8 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -75.93 -28.83 58.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.701 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.68 -33.26 73.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 12.5 ptt180 -63.53 -47.26 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.803 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.428 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.66 -32.51 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.23 -38.07 36.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.022 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.79 -44.27 97.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.004 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -59.13 -29.97 67.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -68.91 -37.05 78.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -68.97 -43.65 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.7 p -75.7 -33.84 60.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -102.91 61.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.17 -58.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpp . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.82 0.343 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.76 93.6 2.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.07 -28.08 35.24 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.473 2.115 . . . . 0.0 112.266 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 96.01 -40.45 2.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.598 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -115.86 150.83 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.767 0.318 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.75 116.0 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -88.05 149.24 24.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -135.29 144.08 46.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -114.84 121.63 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.0 mt -109.01 144.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.506 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.9 OUTLIER -68.9 97.02 0.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.45 -26.81 65.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.4 mm -61.06 151.56 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -77.73 105.0 8.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 151.89 -63.94 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.653 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -82.5 175.64 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 110.962 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.63 35.53 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.431 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -171.56 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.3 t -124.06 158.92 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.483 ' N ' HG12 ' A' ' 547' ' ' VAL . 3.1 m-85 -151.4 154.92 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.777 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -110.18 -26.3 4.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.664 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.1 mmtm -122.57 140.44 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.054 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.55 -30.01 66.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.7 t -55.3 -28.43 53.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.686 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 12.5 m170 -75.2 -27.37 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.577 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.2 -32.48 72.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.808 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 8.1 ptt85 -64.03 -47.0 81.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.75 -33.17 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -79.17 -37.16 39.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.99 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 558' ' ' LEU . 12.1 mt -60.4 -45.38 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.419 ' HA ' HG22 ' A' ' 562' ' ' THR . 13.9 ptm180 -59.05 -29.89 67.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -70.73 -31.84 68.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -72.8 -45.84 56.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 562' ' ' THR . 9.1 t -72.49 108.02 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 104.22 102.37 2.74 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -122.26 174.89 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mtt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.802 0.334 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.403 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 1.0 OUTLIER -87.58 -52.88 0.4 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 50.4 Cg_exo -53.23 169.44 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 0.0 112.282 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 133.74 -52.27 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.542 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.01 166.35 24.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -89.21 166.02 14.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.61 160.75 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -99.42 131.91 45.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -88.06 116.44 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -114.31 148.13 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.98 116.92 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -92.09 25.02 3.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 49.9 mm -122.02 150.07 25.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.786 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.22 64.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.722 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -133.39 -80.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.597 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.1 p -119.4 -172.6 2.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.898 0.38 . . . . 0.0 111.027 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -143.01 38.7 1.39 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.364 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.427 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -67.92 -172.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.35 135.4 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.248 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -147.47 146.48 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -103.07 32.19 7.87 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.57 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -149.15 117.5 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.8 p -59.17 -29.46 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.5 m -59.01 -32.69 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.833 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.0 -32.42 59.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.778 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.1 tt -56.94 -43.47 81.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -59.28 -51.69 68.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -58.12 -33.97 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.42 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 7.5 t60 -79.38 -38.18 35.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.65 -43.7 93.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.035 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -59.15 -29.91 67.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.21 -38.49 78.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -65.77 -44.27 86.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 25.6 p -69.49 104.48 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 109.78 77.46 0.95 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -111.52 -52.53 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.6 mtp . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.763 0.316 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.34 149.87 97.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.32 -55.77 3.52 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 0.0 112.263 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 106.95 85.0 1.75 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.4 139.3 31.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.51 156.51 36.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt 43.48 92.25 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.451 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -148.81 153.95 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -120.34 103.26 9.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.8 mt -122.44 152.22 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.0 OUTLIER -74.29 114.2 12.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -72.12 -20.84 61.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.75 151.08 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.208 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -82.82 58.75 4.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.077 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -164.44 -51.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.618 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.9 OUTLIER -90.36 176.0 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.331 . . . . 0.0 110.743 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.89 41.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.691 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -170.53 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 110.727 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.6 136.48 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.284 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -132.99 151.57 52.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.752 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -95.21 14.16 65.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.718 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -149.21 131.36 15.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.835 0.35 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.3 t -68.88 -29.09 67.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 33.4 m -56.16 -32.18 64.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -28.25 63.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.711 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.77 -43.33 80.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.736 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -51.75 68.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.25 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -60.89 -32.7 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -79.72 -34.8 39.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.74 -39.37 93.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -29.84 67.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -73.27 -33.46 65.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.685 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -72.39 -45.65 58.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 12.4 p -84.41 117.76 23.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 105.54 28.19 5.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.509 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -83.87 -42.69 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.78 0.324 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.65 111.23 8.93 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.55 114.23 3.42 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.422 2.081 . . . . 0.0 112.336 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 120.59 120.75 2.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -98.46 140.84 32.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -140.57 165.19 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.7 mttt 60.64 158.22 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -97.51 -177.66 3.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -99.74 100.52 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -122.81 149.44 26.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 127.86 33.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.61 30.55 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.717 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.5 mt -126.33 137.54 57.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.58 83.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.835 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -178.7 -61.54 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.22 -175.48 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 177.34 39.24 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.105 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.414 ' CE ' ' NE2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -100.1 -164.98 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.751 0.31 . . . . 0.0 110.791 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -139.66 148.17 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.066 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -149.07 154.94 40.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -123.97 24.76 6.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.599 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -149.14 124.26 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 10.0 t -69.01 -36.83 78.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 38.3 m -57.42 -37.04 72.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.705 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -69.53 -27.98 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.629 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -30.71 68.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.795 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.418 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 6.1 ptm180 -62.42 -46.71 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -66.86 -32.53 73.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.414 ' NE2' ' CE ' ' A' ' 546' ' ' LYS . 23.1 t60 -77.19 -34.83 56.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.769 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -44.64 95.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 559' ' ' ARG . 4.6 ptm85 -59.11 -29.92 67.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.33 -35.89 81.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.695 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -71.68 -29.96 65.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 4.8 p -97.31 36.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -160.16 34.53 0.44 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.06 175.66 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.799 0.333 . . . . 0.0 110.829 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 9.3 mtp85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.869 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.838 0.351 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -146.51 162.41 34.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.05 -39.71 69.57 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.597 2.198 . . . . 0.0 112.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -144.3 165.28 27.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.21 126.66 14.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -134.24 160.5 37.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -131.13 146.91 52.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.89 147.18 24.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.898 ' NE2' HG22 ' A' ' 551' ' ' THR . 2.4 m-70 -109.89 99.82 8.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.69 143.91 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -78.5 104.98 9.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -58.8 -31.57 68.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.694 HD13 ' CG ' ' A' ' 561' ' ' HIS . 3.7 mt -59.55 116.75 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -58.89 89.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 167.65 -48.09 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.59 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -87.71 -178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 167.67 49.15 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.425 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.443 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -79.71 -35.66 38.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 0.0 110.978 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.6 t 57.12 87.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.015 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.443 ' CE2' ' HE3' ' A' ' 546' ' ' LYS . 14.8 m-85 -99.71 154.9 17.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -99.78 32.94 6.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -149.15 127.11 11.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.898 HG22 ' NE2' ' A' ' 537' ' ' HIS . 12.5 p -70.51 -34.37 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 2.8 m -56.92 -31.63 65.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -28.37 57.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.631 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.433 HD22 ' CG ' ' A' ' 537' ' ' HIS . 4.6 tp -63.57 -36.49 83.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 3.9 ptm180 -66.07 -46.83 76.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -69.5 -32.56 71.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.443 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 10.4 t60 -77.96 -37.73 46.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.81 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.12 -40.4 85.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -59.09 -29.86 67.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -46.25 73.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.694 ' CG ' HD13 ' A' ' 541' ' ' ILE . 48.4 m-70 -59.87 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 44.6 p -63.05 115.29 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 67.6 98.53 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.58 32.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 ttp85 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.908 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 ptm . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.78 0.324 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.84 162.69 30.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 163.39 38.45 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.531 2.154 . . . . 0.0 112.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -126.74 -72.11 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -132.79 113.13 12.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -147.94 154.59 40.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -120.53 103.89 9.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -172.91 131.02 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -96.71 104.77 16.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.606 HG23 HG22 ' A' ' 547' ' ' VAL . 3.7 mp -103.45 145.98 11.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.14 98.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -56.85 -28.51 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 47.3 mm -73.05 150.77 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.064 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -81.59 59.35 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -120.82 -79.9 0.57 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.599 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 15.8 p -115.79 -165.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -159.15 60.62 0.31 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.436 ' HE2' ' CG ' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -77.55 -35.44 53.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.974 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.606 HG22 HG23 ' A' ' 538' ' ' ILE . 74.7 t 53.71 86.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.046 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -98.33 154.91 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.11 28.47 13.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.541 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.27 127.75 15.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 9.2 t -70.01 -32.98 71.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 44.5 m -58.29 -33.09 69.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -75.98 -29.39 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.59 -35.21 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.402 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 7.6 ptt180 -63.3 -46.51 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.798 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -65.19 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.436 ' CG ' ' HE2' ' A' ' 546' ' ' LYS . 8.7 t60 -73.7 -40.06 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 10.4 mt -59.98 -46.38 89.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.049 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 21.6 ptt85 -59.13 -29.98 67.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.975 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -35.78 76.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -68.0 -39.96 83.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 9.6 p 55.91 36.27 27.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 72.44 106.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -103.99 166.63 10.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.816 0.341 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.854 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.747 0.308 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.29 142.67 84.81 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.35 -177.44 2.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.504 2.136 . . . . 0.0 112.222 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 122.45 145.05 6.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.517 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.5 134.99 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -79.99 162.45 24.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -123.87 160.72 26.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -135.37 167.01 21.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -116.27 107.85 15.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.639 HG23 ' O ' ' A' ' 546' ' ' LYS . 6.5 mt -111.82 141.08 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.96 122.68 9.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.65 35.96 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.003 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 561' ' ' HIS . 2.2 pp -127.0 153.3 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.049 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -74.11 83.66 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.964 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 169.76 -42.84 0.21 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.741 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.75 173.14 6.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 0.0 111.064 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.39 33.94 0.12 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.391 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.639 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.3 OUTLIER -86.73 -171.51 3.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 548' ' ' TYR . 26.1 t -124.04 158.58 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.486 ' N ' HG12 ' A' ' 547' ' ' VAL . 4.5 m-85 -158.35 154.96 27.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.746 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -127.37 19.73 5.94 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.724 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 5.1 tttm -149.14 131.5 15.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 1.5 m -69.12 -37.72 78.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.38 -31.51 61.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.471 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -73.71 -27.6 61.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.04 -36.87 80.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.609 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.544 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.68 -37.29 87.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.544 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.23 -37.36 57.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.735 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -76.66 -29.66 56.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.776 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.91 -37.29 84.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -46.78 66.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 541' ' ' ILE . 59.8 m-70 -59.58 -42.84 93.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 75.0 p -75.35 -33.34 61.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -104.87 90.16 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 174.63 5.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.769 0.319 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.4 ptt-85 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.894 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.79 119.04 70.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.46 -28.5 36.01 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.357 2.038 . . . . 0.0 112.199 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.52 -121.59 5.86 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.538 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.99 134.39 48.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.342 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -130.32 120.02 23.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -146.79 122.17 10.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -153.2 136.84 16.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -102.25 103.89 14.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 7.1 mt -111.99 134.95 52.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.04 93.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -57.1 -25.08 58.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.782 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 542' ' ' GLN . 1.4 mp -68.43 161.09 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.048 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.475 ' N ' HG22 ' A' ' 541' ' ' ILE . 9.9 mp0 -69.53 -9.85 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.629 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 561' ' ' HIS . . . -53.75 -101.1 0.01 OUTLIER Glycine 0 C--N 1.333 0.363 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.832 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -110.7 -168.16 1.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -146.65 29.78 1.57 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.432 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -171.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.6 t -124.66 157.54 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.157 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.465 ' N ' HG12 ' A' ' 547' ' ' VAL . 11.9 m-85 -159.08 154.97 26.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -122.9 18.0 8.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.661 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -149.2 133.38 17.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.4 t -67.69 -34.06 76.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.801 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -31.76 62.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.578 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -73.74 -28.04 61.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.432 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.15 -37.21 85.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.668 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -64.07 -36.5 84.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.501 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.94 -44.53 39.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.822 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -70.32 -28.6 65.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.45 -46.41 69.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.007 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -59.42 -29.97 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.14 -33.74 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.414 ' CE1' ' HA3' ' A' ' 543' ' ' GLY . 21.3 m-70 -70.89 -33.71 70.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 8.2 p 56.06 -178.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -74.37 101.17 1.23 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -142.79 -177.41 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.815 0.34 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 1.5 ptt85 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.889 -179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.834 0.349 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.4 t0 60.6 98.91 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.84 159.64 51.93 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.419 2.079 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 121.26 -160.52 15.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.424 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -80.96 140.27 35.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -115.75 156.64 25.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -131.09 177.63 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -149.03 152.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 548' ' ' TYR . 2.0 m-70 -84.45 117.21 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.67 146.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 121.18 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.949 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -96.83 29.54 3.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.588 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 36.7 mt -130.71 150.7 34.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.983 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -70.1 66.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.741 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -131.64 -82.98 0.25 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 14.5 p -119.08 -165.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -151.82 47.96 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.31 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.425 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -81.44 -172.35 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.875 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 25.0 t -155.02 133.45 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 537' ' ' HIS . 0.3 OUTLIER -145.21 148.32 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -100.67 30.98 9.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -149.11 123.37 9.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 4.6 m -58.94 -29.59 67.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 2.3 m -56.23 -32.79 64.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.722 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -76.06 -30.93 58.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.187 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 554' ' ' LEU . 6.8 tt -70.26 -36.59 74.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.459 179.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.562 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -68.57 -38.75 81.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.562 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.11 -41.89 60.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.022 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.425 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 12.9 t60 -74.03 -33.06 63.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.877 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.22 -45.92 82.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.05 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -59.24 -29.79 67.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.779 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -40.41 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -63.93 -45.87 87.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 10.5 t -78.72 138.0 38.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 87.05 54.65 2.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.547 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -114.12 -37.87 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.913 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.769 0.319 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -88.1 127.79 56.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.63 -61.84 0.4 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.397 2.064 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 142.05 -71.9 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.409 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.6 139.96 25.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -83.65 118.58 23.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 107.77 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . 0.622 ' HB3' HG13 ' A' ' 547' ' ' VAL . 56.7 mt-30 -147.02 154.99 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -113.03 104.7 12.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.805 ' CD1' HG22 ' A' ' 547' ' ' VAL . 22.3 mm -91.69 151.76 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.209 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.404 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 2.5 t -70.66 118.32 13.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . 0.574 ' CE1' HD11 ' A' ' 541' ' ' ILE . 9.4 p80 -58.07 -28.72 64.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.574 HD11 ' CE1' ' A' ' 540' ' ' HIS . 2.6 mt -85.95 124.58 40.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -61.0 108.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 154.75 -58.79 0.39 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.539 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.404 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -64.91 -167.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.45 58.58 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.389 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.4 -34.94 17.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.805 HG22 ' CD1' ' A' ' 538' ' ' ILE . 75.8 t 54.17 82.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.128 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -102.38 154.93 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.11 -22.64 31.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.641 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.99 126.46 50.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 39.6 p -70.55 -27.78 64.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 88.4 p -55.31 -31.05 61.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -28.47 57.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.668 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.92 -33.64 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 6.8 ptt180 -62.77 -42.5 99.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -76.09 -32.59 59.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -73.96 -31.87 63.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.41 ' O ' HG22 ' A' ' 562' ' ' THR . 0.1 OUTLIER -64.19 -38.63 91.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.073 -179.701 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.7 ppt_? -59.13 -29.84 67.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.988 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -67.77 -47.21 69.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -59.35 -45.5 91.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 562' ' ' THR . 7.8 t -83.12 89.98 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 135.08 -85.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 60.11 165.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.908 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.804 0.335 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.416 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.5 OUTLIER -85.2 -52.78 0.48 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 56.6 Cg_exo -51.87 108.32 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.491 2.127 . . . . 0.0 112.326 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 146.52 -98.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -101.71 115.19 29.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 8.7 mmtm -88.68 160.71 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.98 172.68 8.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -126.87 139.19 53.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.512 ' HB3' HD12 ' A' ' 554' ' ' LEU . 3.0 m-70 -105.13 120.57 41.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 546' ' ' LYS . 3.7 mp -124.58 155.81 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 538' ' ' ILE . 0.5 OUTLIER -59.07 123.9 18.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.829 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -64.23 -30.38 71.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.691 HD11 ' HE1' ' A' ' 561' ' ' HIS . 2.5 pt -79.97 154.8 4.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.217 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -74.7 -21.28 59.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.294 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -50.33 -57.11 10.79 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.898 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 86.8 m -90.26 -176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -173.93 38.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.308 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.6 OUTLIER -92.34 -171.23 2.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -141.69 138.06 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -157.37 125.15 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.11 46.17 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.526 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -149.15 121.66 8.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 27.8 m -64.19 -42.27 96.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -31.17 61.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.4 . . . . 0.0 110.525 179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.24 58.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.108 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 537' ' ' HIS . 5.0 tt -70.1 -37.61 75.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.402 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.4 OUTLIER -65.73 -36.8 84.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.674 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.558 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.93 -32.95 59.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.739 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -78.99 -30.44 44.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.665 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.4 -39.32 88.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.003 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -59.1 -29.8 67.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.929 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -69.85 -34.69 73.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.713 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.691 ' HE1' HD11 ' A' ' 541' ' ' ILE . 53.0 m-70 -74.09 -41.77 61.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 66.5 p -88.11 103.12 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 96.82 78.99 1.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.83 -45.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.81 0.338 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -69.93 143.99 92.55 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -74.77 142.98 29.32 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.53 2.153 . . . . 0.0 112.34 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 89.61 -171.93 38.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -122.05 168.93 11.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -83.31 127.28 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.89 -169.84 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -130.77 116.37 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -102.76 99.83 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 30.8 mt -80.09 149.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.238 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 4.0 t -60.21 147.77 38.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -67.37 -51.2 55.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.56 HD11 ' HE1' ' A' ' 561' ' ' HIS . 3.3 pt -68.79 154.95 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -87.01 56.31 3.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -145.63 -53.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.672 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -64.98 -166.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.858 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 161.52 47.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -84.7 -37.5 20.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 111.011 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 64.4 t 57.04 99.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.43 ' CE1' ' HE3' ' A' ' 546' ' ' LYS . 2.7 m-85 -104.5 154.94 19.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -92.5 17.27 57.96 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.715 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.15 126.67 11.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 8.8 t -70.56 -28.31 64.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.44 -31.95 68.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -30.58 58.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.725 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.13 -30.6 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.422 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 5.0 ptm180 -60.33 -46.46 89.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.708 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.422 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -71.15 -32.53 69.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 16.8 t60 -75.22 -36.69 61.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.02 -42.89 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 562' ' ' THR . 0.3 OUTLIER -59.06 -29.64 67.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.743 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.5 OUTLIER -65.81 -43.63 88.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.56 ' HE1' HD11 ' A' ' 541' ' ' ILE . 55.7 m-70 -63.19 -45.87 89.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.0 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 559' ' ' ARG . 8.8 t -73.3 137.24 44.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.954 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 69.65 89.99 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.51 98.66 5.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.3 ptm . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.786 0.327 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -159.99 149.66 14.58 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.75 102.39 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.611 2.207 . . . . 0.0 112.301 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -173.12 -149.43 6.84 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -72.32 133.18 44.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.859 0.361 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.35 144.19 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -143.96 111.84 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -139.88 146.85 39.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.416 ' CD2' HD13 ' A' ' 554' ' ' LEU . 0.9 OUTLIER -104.12 102.11 11.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 538' ' ' ILE . 3.8 mp -91.18 128.29 43.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.405 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -78.18 106.19 9.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.966 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -95.88 40.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.019 0.437 . . . . 0.0 110.555 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 561' ' ' HIS . 4.1 mt -124.66 123.52 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.283 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 62.23 -80.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -177.17 39.83 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.613 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.405 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.0 OUTLIER -62.67 -166.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.767 0.318 . . . . 0.0 110.671 179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.8 35.1 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.8 -170.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.5 t -139.48 157.37 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.064 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.449 ' N ' HG12 ' A' ' 547' ' ' VAL . 1.9 m-85 -159.13 154.9 26.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -119.87 17.27 10.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.713 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.15 128.49 12.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.54 -30.44 67.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.3 m -56.75 -31.62 64.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -75.99 -31.14 58.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.537 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -60.4 -34.57 74.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.687 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.6 OUTLIER -59.67 -38.83 82.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.986 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.421 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.04 -53.93 7.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.751 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -60.74 -27.09 67.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.89 -34.77 79.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -61.51 -31.63 71.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -46.43 74.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.965 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.737 ' HB3' HG21 ' A' ' 541' ' ' ILE . 41.1 m-70 -58.81 -32.21 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 36.8 p -86.51 158.14 19.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 76.31 75.58 0.87 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -137.36 -49.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.863 0.363 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.67 147.1 66.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 115.08 2.04 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.558 2.172 . . . . 0.0 112.253 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 169.71 165.42 27.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.516 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 118.67 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.54 105.46 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 58.27 169.66 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . 0.487 ' HG3' HD11 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -99.7 143.58 29.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 179.891 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -90.62 115.17 27.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.487 HD11 ' HG3' ' A' ' 536' ' ' GLN . 1.6 mt -122.19 137.74 54.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.84 123.09 15.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.975 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.04 30.41 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.636 179.707 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 5.4 mt -121.44 138.5 51.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.02 84.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 175.8 -59.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.591 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.25 -175.17 4.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 176.08 38.68 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.207 179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.4 ' O ' HG23 ' A' ' 538' ' ' ILE . 0.0 OUTLIER -97.47 -168.78 1.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.14 94.93 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -102.07 154.91 18.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -124.98 39.36 2.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -149.11 113.4 5.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.331 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 5.0 t -66.1 -39.87 90.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.8 m -59.18 -32.84 70.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.738 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.62 -30.17 59.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.578 179.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 5.8 tp -57.09 -30.48 64.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.498 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.411 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 9.7 ptp180 -57.15 -46.32 82.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.544 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -73.65 -32.84 64.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.804 179.673 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -72.62 -34.06 67.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 558' ' ' LEU . 11.7 mt -68.69 -44.01 74.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.335 -179.658 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.07 -29.9 67.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.033 -179.754 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.413 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 0.0 OUTLIER -69.53 -30.35 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.765 179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.424 ' O ' ' N ' ' A' ' 563' ' ' GLY . 25.4 m-70 -75.96 -36.55 59.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 56.67 -83.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 561' ' ' HIS . . . -152.64 -50.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.551 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.07 98.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.822 0.344 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 ttm . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.768 0.318 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.401 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.8 OUTLIER -73.19 -60.68 1.69 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 59.0 Cg_endo -72.09 139.44 32.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.498 2.132 . . . . 0.0 112.367 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -171.57 -162.69 24.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -146.53 158.16 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 128.74 47.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.846 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -91.27 112.88 24.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -70.36 143.44 51.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -86.6 99.96 12.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.3 mt -113.93 149.37 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 1.6 t -63.01 104.07 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.045 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -58.06 -30.95 66.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.695 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 542' ' ' GLN . 6.7 mt -65.3 159.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . 0.504 ' N ' HG22 ' A' ' 541' ' ' ILE . 5.4 pt20 -92.14 36.52 0.98 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.241 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -98.9 -67.08 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.3 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 23.8 p -111.06 -169.82 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -152.62 41.31 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.36 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -83.95 -170.79 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 548' ' ' TYR . 21.5 t -134.6 159.41 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.484 ' N ' HG12 ' A' ' 547' ' ' VAL . 17.0 m-85 -157.18 155.01 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.965 -179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.64 -26.39 5.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.6 179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 16.2 tptt -119.28 138.36 53.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.005 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 31.8 p -63.28 -27.79 69.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 5.3 t -55.14 -28.79 55.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.775 179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -75.85 -28.7 58.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 179.66 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -34.84 74.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.0 OUTLIER -62.18 -48.02 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.741 -179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.415 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -62.57 -34.67 77.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -76.68 -40.46 48.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.819 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.63 -45.68 93.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.989 -179.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 32.6 ptt85 -59.13 -29.99 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -31.96 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.42 ' O ' ' N ' ' A' ' 563' ' ' GLY . 22.4 m-70 -73.24 -30.01 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.0 -85.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 561' ' ' HIS . . . -95.13 -106.97 2.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 60.51 173.67 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.854 0.359 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.809 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.65 143.65 30.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.54 162.34 40.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.56 2.173 . . . . 0.0 112.324 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -149.55 179.52 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.473 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -88.34 110.21 20.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -153.15 150.63 29.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.83 104.23 12.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -174.58 158.61 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -122.9 99.91 6.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.9 151.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 13.5 t -59.21 121.36 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -58.18 -29.05 65.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 41.6 mm -82.66 151.44 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -90.41 78.63 6.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -169.32 -45.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.578 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 72.5 m -87.74 -175.41 5.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -179.37 54.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.312 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.86 -35.24 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.039 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 91.2 t 48.35 88.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 179.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' A' ' 546' ' ' LYS . 20.3 m-85 -102.91 154.95 18.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.72 32.08 6.92 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.541 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -149.13 128.85 13.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.786 0.327 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -33.83 72.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 3.9 t -56.03 -31.63 63.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -76.05 -28.66 57.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.559 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 3.5 tp -66.12 -37.77 86.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 179.926 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.52 -38.17 90.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.844 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 555' ' ' ARG . . . -75.96 -34.06 59.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.419 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 20.1 t60 -79.68 -31.55 41.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.31 -37.8 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.682 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -29.81 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -44.84 77.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.816 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -62.83 -45.91 90.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 34.3 p -74.25 121.93 22.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 79.29 57.03 3.26 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.6 161.83 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.772 0.32 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.69 142.88 25.9 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.9 120.21 6.71 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.512 2.141 . . . . 0.0 112.281 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -124.16 -171.38 13.44 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 5.2 mmpp? -141.04 110.21 6.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -129.82 115.42 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 10.4 mttp -126.99 39.42 3.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -127.32 124.85 39.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -116.89 100.3 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.574 HD13 HG22 ' A' ' 547' ' ' VAL . 26.5 mm -76.04 128.27 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.034 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.416 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.2 m -76.55 113.61 14.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -97.57 32.92 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 561' ' ' HIS . 8.4 mt -128.73 127.89 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.223 -179.763 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 59.47 -83.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.978 179.781 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -176.68 33.37 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.727 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.416 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.5 OUTLIER -64.01 -169.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.805 0.336 . . . . 0.0 110.612 179.831 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 165.87 45.79 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.604 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.407 ' HE2' ' CE1' ' A' ' 557' ' ' HIS . 0.0 OUTLIER -85.47 -35.76 21.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.351 . . . . 0.0 110.909 -179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.574 HG22 HD13 ' A' ' 538' ' ' ILE . 84.7 t 49.76 96.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.412 179.72 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -106.13 155.01 19.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.805 179.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -93.17 25.7 18.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.703 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -142.75 113.04 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.815 0.341 . . . . 0.0 110.838 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -36.16 82.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.64 -30.25 63.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 179.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.94 -27.92 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 179.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 1.7 tp -62.28 -36.92 83.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . . . . . . . . . 17.7 ptt85 -62.39 -46.55 88.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.695 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 559' ' ' ARG . . . -68.18 -32.63 73.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.566 179.562 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.407 ' CE1' ' HE2' ' A' ' 546' ' ' LYS . 5.0 t60 -75.86 -30.68 58.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.458 179.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -36.37 83.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.007 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -40.74 66.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.791 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.4 ' HB3' HG21 ' A' ' 541' ' ' ILE . 38.6 m-70 -65.69 -45.87 81.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.9 p -84.49 93.74 8.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 82.37 120.34 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -107.35 169.57 8.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.914 179.964 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.788 0.327 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 150.07 91.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 168.87 20.81 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.566 2.177 . . . . 0.0 112.255 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -134.7 -43.88 0.11 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 145.23 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.322 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -151.53 121.94 7.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt 60.36 171.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . 0.542 ' HG2' HG11 ' A' ' 547' ' ' VAL . 0.0 OUTLIER -144.8 150.77 37.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.782 ' CE1' HD22 ' A' ' 554' ' ' LEU . 0.3 OUTLIER -102.45 129.75 49.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.908 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . 0.482 HD13 ' O ' ' A' ' 537' ' ' HIS . 27.5 mm -131.33 148.81 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.1 OUTLIER -67.42 111.37 4.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -59.13 -30.23 67.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 38.0 mm -70.34 152.25 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -85.37 111.66 20.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 146.22 -43.45 0.89 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.678 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -89.32 175.43 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 110.921 -179.831 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -167.32 30.75 0.19 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.542 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.71 -172.42 4.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.817 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.542 HG11 ' HG2' ' A' ' 536' ' ' GLN . 21.8 t -152.78 132.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.315 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 537' ' ' HIS . 0.1 OUTLIER -134.14 126.05 29.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.638 179.772 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -63.79 -30.95 79.19 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.724 -179.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.63 127.96 44.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.402 HG22 ' NE2' ' A' ' 537' ' ' HIS . 10.7 p -66.55 -25.96 66.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.776 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 20.0 t -55.11 -26.95 41.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.566 179.721 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -75.93 -28.54 58.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.288 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.782 HD22 ' CE1' ' A' ' 537' ' ' HIS . 69.0 tp -63.63 -42.53 98.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.407 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 1.7 ptp180 -64.26 -45.94 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.407 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -70.5 -32.59 70.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.978 179.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -77.01 -37.48 54.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.24 -40.35 85.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 -179.797 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 0.0 OUTLIER -59.17 -29.86 67.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.869 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 2.9 t-105 -67.15 -46.45 74.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -59.75 -37.24 78.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.9 p -69.82 102.09 1.86 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 132.07 43.63 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -120.6 -46.24 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 19.5 mtt-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.897 -179.991 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.817 0.341 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.6 93.42 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.27 171.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.537 2.158 . . . . 0.0 112.402 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -125.53 169.45 17.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.534 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.8 134.5 42.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.352 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 142.66 37.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.67 179.81 6.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -91.88 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 548' ' ' TYR . 9.1 p80 -121.38 147.6 45.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.52 152.44 32.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.468 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 1.1 m -75.18 97.8 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -64.26 -28.42 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.17 133.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.95 105.16 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 153.23 -64.14 0.36 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.588 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -85.5 176.23 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 110.887 -179.902 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -175.29 44.61 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.604 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' 557' ' ' HIS . 0.1 OUTLIER -91.88 -172.55 3.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.808 0.337 . . . . 0.0 110.781 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.412 ' O ' ' CD1' ' A' ' 548' ' ' TYR . 26.3 t -155.19 141.01 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.243 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.428 ' HB2' ' CE1' ' A' ' 537' ' ' HIS . 24.0 m-85 -146.7 155.0 42.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.633 179.739 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -94.91 24.82 26.69 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.688 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.2 126.17 11.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.749 0.309 . . . . 0.0 111.098 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 65.4 p -70.54 -31.26 68.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.1 m -55.27 -27.6 47.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.488 179.574 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.62 -27.0 58.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.084 179.069 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 554' ' ' LEU . 14.2 tp -68.18 -36.18 79.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.569 179.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.557 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.1 OUTLIER -64.94 -38.87 92.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.803 -179.915 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.557 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.33 -34.93 58.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.667 179.489 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 546' ' ' LYS . 5.8 t60 -75.46 -31.51 60.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.609 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 558' ' ' LEU . 4.9 mt -64.53 -42.77 95.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.842 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 560' ' ' TRP . 1.2 ptm180 -59.19 -29.73 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . 0.42 ' N ' ' HG3' ' A' ' 559' ' ' ARG . 1.3 t-105 -68.16 -45.02 74.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.77 179.81 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -59.46 -37.54 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 18.7 p -115.78 101.53 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 121.06 75.38 0.4 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.5 -57.77 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.824 0.345 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.408 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.4 OUTLIER -77.63 -52.7 1.65 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.915 -179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.408 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 56.7 Cg_exo -51.81 163.28 1.38 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.265 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 80.19 -82.8 1.43 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.23 128.48 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.03 143.14 49.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.03 132.54 34.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -89.12 176.17 7.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -116.43 136.68 52.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.6 140.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.482 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.7 OUTLIER -59.33 113.69 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -79.54 -17.71 53.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.026 179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . 0.533 HD11 ' CE1' ' A' ' 561' ' ' HIS . 1.2 pp -63.5 157.04 4.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.172 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -86.82 79.93 8.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.984 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 178.24 -46.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.609 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.482 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.8 OUTLIER -93.87 175.61 6.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.792 -179.906 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -174.98 35.99 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.589 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -171.77 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.799 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.39 126.24 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.205 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.453 ' N ' ' CD1' ' A' ' 548' ' ' TYR . 1.4 p90 -159.0 117.19 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -97.91 54.54 1.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.605 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.14 122.53 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.346 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 24.5 p -61.56 -41.16 96.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 79.6 p -56.51 -35.74 68.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 110.631 179.855 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -76.12 -30.43 58.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.296 179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.537 HD23 ' HG ' ' A' ' 558' ' ' LEU . 2.7 tt -72.24 -33.34 67.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.555 179.583 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.552 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 4.5 ptm180 -71.75 -39.34 70.09 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.577 179.802 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.552 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -75.99 -32.57 59.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.701 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -79.54 -32.47 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.537 ' HG ' HD23 ' A' ' 554' ' ' LEU . 9.1 mt -63.98 -40.86 97.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.002 -179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -59.08 -29.79 67.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.59 -35.65 75.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.805 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.533 ' CE1' HD11 ' A' ' 541' ' ' ILE . 39.3 m-70 -72.09 -33.21 67.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 73.3 p -92.57 105.27 17.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 102.88 31.8 4.97 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.91 -32.93 6.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.817 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.857 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.895 0.379 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.404 ' CB ' ' CD ' ' A' ' 531' ' ' PRO . 0.3 OUTLIER -74.79 -60.93 1.16 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 530' ' ' ASP . 65.8 Cg_endo -74.02 127.92 11.83 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.534 2.156 . . . . 0.0 112.36 -179.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 77.84 77.97 0.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.37 135.14 55.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.22 152.59 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -105.07 152.83 22.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -135.41 115.09 12.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.541 ' HB3' HD11 ' A' ' 554' ' ' LEU . 9.9 m-70 -95.15 99.88 11.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.1 mt -107.88 133.8 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.8 OUTLIER -59.79 112.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.78 53.2 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 24.3 mt -143.58 141.82 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.98 179.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.0 73.62 0.19 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -174.51 -52.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.742 -179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.455 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.7 OUTLIER -98.94 175.31 5.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 111.0 -179.742 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -170.38 37.14 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -171.51 3.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.739 0.304 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 16.1 t -137.78 141.77 38.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.87 154.98 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.813 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -116.29 16.9 14.76 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.729 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.14 134.17 18.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.52 -33.95 71.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.9 p -55.42 -31.17 61.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.784 179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -75.93 -28.35 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.45 179.469 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 537' ' ' HIS . 2.5 mp -65.96 -35.51 80.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.64 179.66 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.507 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.3 OUTLIER -62.46 -37.27 85.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.888 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.507 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -76.12 -45.16 35.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.815 179.765 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -70.27 -29.45 66.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.802 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.48 -38.04 86.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.251 -179.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.21 -31.96 69.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.936 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -71.64 -32.6 68.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -73.15 -28.62 62.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.68 -172.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -72.01 -39.32 58.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 63.83 131.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mmt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.806 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.405 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.2 OUTLIER -85.78 -52.88 0.46 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 54.5 Cg_exo -51.88 -56.61 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.567 2.178 . . . . 0.0 112.253 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -127.86 143.59 14.5 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.429 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -130.42 136.38 48.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -99.41 126.38 45.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.24 103.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -112.1 146.16 38.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.434 ' HB3' ' CE1' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -90.29 117.3 28.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.765 179.924 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 5.2 mt -121.19 149.95 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . 0.421 ' CB ' ' HB3' ' A' ' 544' ' ' CYS . 0.5 OUTLIER -69.69 99.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -58.65 -29.96 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 4.2 mt -62.26 120.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.034 179.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.73 92.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 172.59 -56.55 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.579 179.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 539' ' ' CYS . 0.1 OUTLIER -70.94 -172.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 111.071 -179.896 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -177.94 35.09 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.286 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . 0.422 ' HE3' ' CE2' ' A' ' 548' ' ' TYR . 0.0 OUTLIER -97.01 -171.8 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.344 . . . . 0.0 110.844 -179.88 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 136.41 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 548' ' ' TYR . 0.1 OUTLIER -148.51 143.31 26.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.78 179.935 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -104.42 32.99 6.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.561 -179.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -149.08 126.13 11.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 22.3 m -59.87 -32.77 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 179.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 19.2 m -55.96 -30.46 61.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.997 0.427 . . . . 0.0 110.465 179.627 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -76.18 -32.69 59.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.903 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . . . . . . . . . 34.1 tp -69.64 -41.42 75.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.226 179.356 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 552' ' ' SER . 11.1 ptt180 -67.95 -40.07 83.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.545 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.412 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -74.58 -32.58 62.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.795 179.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -75.57 -30.65 59.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.824 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.71 -38.07 88.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 -179.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . 0.402 ' CG ' ' O ' ' A' ' 556' ' ' ALA . 0.0 OUTLIER -59.17 -29.78 67.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.892 -179.819 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -43.89 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.788 179.892 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . 0.657 ' O ' HG22 ' A' ' 562' ' ' THR . 49.2 m-70 -62.84 -37.07 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 561' ' ' HIS . 8.1 t 50.99 172.74 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.56 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . -58.11 102.49 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.543 -179.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.35 130.39 35.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 11.6 mtt85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.942 179.995 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.799 0.333 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.494 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 1.0 OUTLIER -72.8 -45.78 9.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 52.6 Cg_exo -52.5 110.13 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.316 2.01 . . . . 0.0 112.309 -179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -120.31 -130.24 3.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.95 159.62 15.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 142.86 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . . . . . . . . . 2.5 mtmm -98.66 97.38 8.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . 0.437 ' OE1' HG11 ' A' ' 547' ' ' VAL . 0.4 OUTLIER 59.93 164.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -111.72 113.53 25.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 3.4 mp -102.52 141.05 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.046 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.19 94.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -59.45 -27.3 65.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.37 144.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.184 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -74.18 64.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . -127.93 -76.99 0.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 19.1 p -112.94 -167.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . -153.76 45.69 0.57 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.263 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.19 -172.48 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.437 HG11 ' OE1' ' A' ' 536' ' ' GLN . 21.6 t -137.55 136.22 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -159.16 123.35 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -96.12 42.34 2.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.05 126.02 11.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . . . . . . . . . 78.0 p -63.61 -39.83 95.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 555' ' ' ARG . 0.2 OUTLIER -55.81 -31.51 62.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.595 179.798 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -26.49 56.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.248 179.334 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.676 HD23 HD23 ' A' ' 558' ' ' LEU . 4.2 tt -70.44 -39.29 74.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.647 179.697 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 556' ' ' ALA . 0.2 OUTLIER -65.67 -38.26 88.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.712 179.94 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.489 ' N ' ' HG3' ' A' ' 555' ' ' ARG . . . -71.41 -34.2 70.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -77.16 -33.02 56.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.768 179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.676 HD23 HD23 ' A' ' 554' ' ' LEU . 0.2 OUTLIER -63.89 -39.39 94.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.709 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -29.95 67.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.007 -179.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -71.26 -35.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -71.36 -45.37 63.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . . . . . . . . . 2.6 p -70.06 103.57 2.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 81.7 81.31 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.62 -32.07 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.829 0.347 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 530' ' ' ASP . . . . . 0.417 ' N ' ' CD ' ' A' ' 531' ' ' PRO . 0.7 OUTLIER -59.49 -52.78 71.76 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.992 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 531' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 530' ' ' ASP . 67.2 Cg_exo -51.06 -177.81 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.538 2.159 . . . . 0.0 112.386 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 75.15 25.1 69.59 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 533' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -78.65 170.41 16.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.828 0.346 . . . . 0.0 110.722 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -91.03 116.19 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 535' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 536' ' ' GLN . 0.0 OUTLIER -57.36 -108.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.824 179.543 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 536' ' ' GLN . . . . . 0.549 ' HB3' HG13 ' A' ' 547' ' ' VAL . 27.1 mt-30 85.4 113.25 0.05 OUTLIER 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.813 -179.823 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 537' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 554' ' ' LEU . 3.3 m-70 -89.11 116.01 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.936 -179.848 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 538' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.09 124.27 65.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 539' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -52.94 101.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 540' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -30.77 66.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 541' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.62 127.08 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 542' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.43 103.78 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 543' ' ' GLY . . . . . . . . . . . . . . . 158.0 -65.1 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.556 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 544' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -167.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 545' ' ' GLY . . . . . . . . . . . . . . . 173.43 39.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.547 -179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 546' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -169.89 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.718 0.294 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . 0.549 HG13 ' HB3' ' A' ' 536' ' ' GLN . 22.6 t -153.11 125.95 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.196 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 548' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -130.13 154.93 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -109.97 23.89 20.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 179.901 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.15 133.82 17.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 551' ' ' THR . . . . . 0.406 ' HA ' ' NE2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -70.58 -32.05 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 552' ' ' SER . . . . . . . . . . . . . 1.4 m -56.1 -29.97 61.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 553' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.57 -29.37 59.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 179.475 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 554' ' ' LEU . . . . . 0.443 ' CD1' ' CD2' ' A' ' 537' ' ' HIS . 0.2 OUTLIER -61.55 -41.17 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.8 179.741 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 555' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 556' ' ' ALA . 10.7 ptt180 -61.84 -45.57 93.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.909 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 555' ' ' ARG . . . -68.09 -34.27 76.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.214 -179.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 557' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -79.98 -37.89 33.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 -179.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 562' ' ' THR . 5.0 tp -60.91 -41.82 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.018 -179.666 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 559' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -58.97 -29.77 67.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 560' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -34.79 75.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.799 179.776 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 561' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -73.29 -46.01 52.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 562' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 558' ' ' LEU . 18.9 p -59.05 100.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 563' ' ' GLY . . . . . . . . . . . . . . . 92.07 28.52 13.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.76 -30.96 46.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.34 . . . . 0.0 110.847 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 565' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.93 179.918 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_